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齐墩果酸, GPBA 受体激动剂

选择性GPBA受体(TGR5)部分激动剂
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货号 (SKU) 包装规格 是否现货 价格 数量
O110088-100mg
100mg 现货 Stock Image
O110088-500mg
500mg 现货 Stock Image
O110088-1g
1g 现货 Stock Image
O110088-5g
5g 现货 Stock Image
O110088-25g
25g 现货 Stock Image
O110088-100g
100g 现货 Stock Image
O110088-500g
500g 期货 Stock Image

基本描述

别名 齐墩果酸 水合物 | 土当归酸
英文别名 Caryophyllin | OLEANOLIC_ACID | SMR000445561 | Oleanolic acid, analytical standard | OLEANOLIC ACID (CONSTITUENT OF HOLY BASIL LEAF) [DSC] | (4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11
规格或纯度 Moligand™, ≥97%
英文名称 Oleanolic acid
生化机理 GPBA受体(TGR5)部分激动剂(EC50 =2.25μM;功效72%)。在FXR上不显示任何活动。还抑制蛋白磷酸酶1B(PTP1B)和糖原磷酸化酶。抑制细胞增殖并增加T24膀胱癌细胞的凋亡。抗糖尿病,抗高血糖,抗肿瘤和保肝。
储存温度 2-8°C储存
运输条件 冰袋运输
作用类型 激动剂
作用机制 GPBA 受体激动剂
产品介绍

溶于甲醇、乙醇、乙醚、丙酮和氯仿,不溶于水。


纯度 ≥97%

关联靶点(人)

CES1 Tchem 肝羧酸酯酶1(Liver carboxylesterase 1) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
PTPN1 Tchem 酪氨酸蛋白磷酸酶非受体 1 型(Tyrosine-protein phosphatase non-receptor type 1) (4 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
PTPRC Tchem 受体型酪氨酸蛋白磷酸酶C(Receptor-type tyrosine-protein phosphatase C) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
F3 Tclin 组织因子(Tissue factor) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
AKR1B10 Tchem 醛酮还原酶家族 1 个成员 B10(Aldo-keto reductase family 1 member B10) (5 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
GPBAR1 Tchem G蛋白偶联胆汁酸受体1(G-protein coupled bile acid receptor 1) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
CDC25B Tchem M 期诱导剂磷酸酶 2(M-phase inducer phosphatase 2) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TOP1 Tclin DNA topoisomerase I (7553 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TOP2A Tclin DNA topoisomerase II alpha (6317 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP19A1 Tclin Cytochrome P450 19A1 (6099 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AKR1B1 Tclin Aldose reductase (1404 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
POLB Tchem DNA polymerase beta (23632 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTPN2 Tchem T-cell protein-tyrosine phosphatase (1317 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TRPV1 Tclin Vanilloid receptor (8273 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CETP Tchem Cholesteryl ester transfer protein (2422 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
APP Tclin Amyloid-beta A4 protein (8510 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AMY2A Tclin Pancreatic alpha-amylase (74 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DUSP3 Tchem Dual specificity protein phosphatase 3 (1161 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTPRA Tchem Receptor-type tyrosine-protein phosphatase alpha (287 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
STAT3 Tchem Signal transducer and activator of transcription 3 (3313 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTPRC Tchem Leukocyte common antigen (2317 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTPRF Tchem Receptor-type tyrosine-protein phosphatase F (LAR) (718 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HSD17B2 Tchem Estradiol 17-beta-dehydrogenase 2 (1671 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
A-375 (9258 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BGC-823 (3035 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CAPAN-1 (772 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
COLO 205 (50209 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
COLO 320 (353 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DLD-1 (17511 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DU-145 (51482 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HCT-8 (3484 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HL-60 (67320 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HT-29 (80576 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
IMR-32 (1082 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
K562 (73714 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
M14 (47487 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MCF-12A (112 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MCF7 (126967 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MDA-MB-453 (1139 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MDA-MB-468 (9477 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NCI-H1975 (4994 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MRC5 (9203 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NCI-N87 (850 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

PLA2G1B Phospholipase A2 group 1B (227 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Coagulation factor III (5 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Abcb1b P-glycoprotein 1 (174 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Nos2 Nitric oxide synthase, inducible (3573 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cdc25b Dual specificity phosphatase Cdc25B (32 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Acat1 Acetyl-CoA acetyltransferase, mitochondrial (1 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Artemia salina (1320 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Burkholderia cepacia (649 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Porphyromonas gingivalis (651 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Streptococcus mutans (2687 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Bacillus thuringiensis (718 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mycobacterium tuberculosis (203094 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Enterococcus faecalis (29875 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Listeria innocua (140 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Actinomyces viscosus (309 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trypanosoma brucei brucei (13300 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Leishmania donovani (89745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trypanosoma cruzi (99888 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Trichomonas vaginalis (2376 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Toxoplasma gondii (4585 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Spodoptera littoralis (798 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ovis aries (854 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cavia porcellus (23802 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Brugia malayi (1377 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Artemia (698 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Carassius auratus (65 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hepatitis B virus (7925 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Human immunodeficiency virus 1 (70413 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hepatitis C virus (23859 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Influenza A virus (11224 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Human immunodeficiency virus (3636 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Salmonella enterica (1497 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
B16 (5829 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
J774.A1 (2436 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
L5178Y (1809 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MDCK (10148 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PC-12 (7051 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RAW264.7 (28094 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Vero (26788 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
C6 (2371 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NIH3T3 (5395 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
L929 (3802 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Lewis lung carcinoma cell line (1243 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

PubChem SID 504751964
EC号 208-081-6
分子类型 小分子
IIUPAC Name (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
INCHI 1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChi Key MIJYXULNPSFWEK-GTOFXWBISA-N
Smiles CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
Isomeric SMILES C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
分子量 456.7
Beilstein号 10(4)1164
Reaxy-Rn 2228564
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2228564&ln=

化学和物理性质

溶解性 溶于DMSO, 最高浓度 (mg/mL): 9.13, 最高浓度(mM): 20 温和加热
密度 1.1
比旋光度 76 ° (C=1, CHCl3)
熔点 300°C
分子量 456.700 g/mol
XLogP3 7.500
氢键供体数Hydrogen Bond Donor Count 2
氢键受体数Hydrogen Bond Acceptor Count 3
可旋转键计数Rotatable Bond Count 1
精确质量Exact Mass 456.36 Da
单同位素质量Monoisotopic Mass 456.36 Da
拓扑极表面积Topological Polar Surface Area 57.500 Ų
重原子数Heavy Atom Count 33
形式电荷Formal Charge 0
复杂度Complexity 885.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 8
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

象形图 GHS07
信号词 警告
危险声明

H315: 引起皮肤刺激

H319: 引起严重眼睛刺激

H335: 可能引起呼吸道刺激

预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P305+P351+P338: 如进入眼睛:用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出,取出隐形眼镜。继续冲洗。

WGK Germany 2
RTECS RK0177965
Merck Index 6827
个人防护装备 dust mask type N95 (US),Eyeshields,Gloves

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批号(Lot Number) 证书类型 货号
I2508301 分析证书 O110088
I2508459 分析证书 O110088
I2508460 分析证书 O110088
I2508461 分析证书 O110088
I2508462 分析证书 O110088
K2119004 分析证书 O110088
D2129107 分析证书 O110088
C1723002 分析证书 O110088
J2421275 分析证书 O110088
G2403644 分析证书 O110088
G2403642 分析证书 O110088
G2403645 分析证书 O110088
G2403646 分析证书 O110088
G2403648 分析证书 O110088
G2403643 分析证书 O110088
G2403673 分析证书 O110088
G2517043 分析证书 O110088
E2509389 分析证书 O110088
E2509390 分析证书 O110088
J2325570 分析证书 O110088
A2408013 分析证书 O110088
J2325571 分析证书 O110088
J2325572 分析证书 O110088
J2325573 分析证书 O110088
J2325574 分析证书 O110088
J2325611 分析证书 O110088
K2118678 分析证书 O110088
K2118683 分析证书 O110088
K2119017 分析证书 O110088
K2119018 分析证书 O110088
C23241021 分析证书 O110088
F2326211 分析证书 O110088
A1911073 分析证书 O110088
G2214279 分析证书 O110088
G2214310 分析证书 O110088
G2214311 分析证书 O110088
G2214312 分析证书 O110088
G2214319 分析证书 O110088
D2307369 分析证书 O110088

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此产品的引用文献

引用文献

1. Liwei Fu,Shujun Zhang,Na Li,Jinlan Wang,Ming Zhao,Junichi Sakai,Toshiaki Hasegawa,Tomokazu Mitsui,Takao Kataoka,Seiko Oka,Miwa Kiuchi,Katutoshi Hirose,Masayoshi Ando.  (2005-02-26)  Three new triterpenes from Nerium oleander and biological activity of the isolated compounds..  Journal of natural products,  68  ((2)): (198-206).  [PMID:15730243]
2. Josefin Larsson,Johan Gottfries,Lars Bohlin,Anders Backlund.  (2005-07-26)  Expanding the ChemGPS chemical space with natural products..  Journal of natural products,  68  ((7)): (985-991).  [PMID:16038536]
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