代谢物 - 小分子和化合物库

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花生四烯酸(AA)
- ≥99%(GC)
CAS号: 506-32-1 EC号: 208-033-4

分子式: C₂₀H₃₂O₂ 分子量: 304.47

IUPAC Name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid

SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O

InChIKey: YZXBAPSDXZZRGB-DOFZRALJSA-N

InChI: 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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20-羟基二十碳-5Z,8Z,11Z,14Z-四烯酸(20-HETE)
- ≥98%
- a solution in ethanol
CAS号: 79551-86-3

分子式: C₂₀H₃₂O₃ 分子量: 320.47

IUPAC Name: (5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

SMILES: C(CCC=CCC=CCC=CCC=CCCCC(=O)O)CCO

InChIKey: NNDIXBJHNLFJJP-DTLRTWKJSA-N

InChI: 1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
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L-α-溶血磷脂酰胆碱（来自蛋黄）
- ≥99%
- Type I, powder
CAS号: 9008-30-4 EC号: 232-715-0

IUPAC Name: [(2R)-3-acetyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O

InChIKey: RYCNUMLMNKHWPZ-SNVBAGLBSA-N

InChI: 1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/t10-/m1/s1
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1-硬脂酰基-2-花生四烯酰基-sn-甘油
- ≥95%
- 25mg/ml in methyl acetate
CAS号: 65914-84-3 Compound CID : 6438587

分子式: C₄₁H₇₂O₅ 分子量: 645.01

IUPAC Name: [(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC

InChIKey: NSXLMTYRMFVYNT-IUJDHQGTSA-N

InChI: 1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,See more
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lysophosphatidylcholine
Compound CID : 5311264

IUPAC Name: [(2R)-3-acetyloxy-2-hydroxypropyl] 2-trimethylazaniumylethyl phosphate

SMILES: O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)C

InChIKey: RYCNUMLMNKHWPZ-SNVBAGLBSA-N

InChI: 1S/C10H22NO7P/c1-9(12)16-7-10(13)8-18-19(14,15)17-6-5-11(2,3)4/h10,13H,5-8H2,1-4H3/t10-/m1/s1
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OAG
CAS号: 84746-00-9 Compound CID : 5353264

IUPAC Name: (2-acetyloxy-3-hydroxypropyl) (E)-octadec-9-enoate

SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)C)CO

InChIKey: PWTCCMJTPHCGMS-ZHACJKMWSA-N

InChI: 1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3/b11-10+
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