代谢物 - 小分子和化合物库

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顺式-4,7,10,13,16,19-二十二碳六烯酸(DHA)
- ≥98%
CAS号: 6217-54-5

分子式: C₂₂H₃₂O₂ 分子量: 328.49

IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid

SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O

InChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-N

InChI: 1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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1-氯-2,2,2-三氟乙基二氟甲基醚
- ≥98%(GC)
CAS号: 26675-46-7

分子式: C₃H₂ClF₅O 分子量: 184.49

IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane

SMILES: C(C(F)(F)F)(OC(F)F)Cl

InChIKey: PIWKPBJCKXDKJR-UHFFFAOYSA-N

InChI: 1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
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15-脱氧-Delta12
- ≥97%
CAS号: 87893-55-8

分子式: C₂₀H₂₈O₃ 分子量: 316.5

IUPAC Name: (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

SMILES: CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O

InChIKey: VHRUMKCAEVRUBK-GODQJPCRSA-N

InChI: 1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
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4-羟基壬烯醛
- ≥97%
CAS号: 75899-68-2

分子式: C₉H₁₆O₂ 分子量: 156.22

IUPAC Name: (E)-4-hydroxynon-2-enal

SMILES: CCCCCC(C=CC=O)O

InChIKey: JVJFIQYAHPMBBX-FNORWQNLSA-N

InChI: 1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
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4-氧-2-壬烯醛(4-ONE)
- ≥95%
CAS号: 103560-62-9

分子式: C₉H₁₄O₂ 分子量: 154.21

IUPAC Name: (E)-4-oxonon-2-enal

SMILES: CCCCCC(=O)C=CC=O

InChIKey: SEPPVOUBHWNCAW-FNORWQNLSA-N

InChI: 1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+
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Prostaglandin A2,花生四烯酸衍生的内源性代谢物
- ≥98%
CAS号: 13345-50-1

分子式: C₂₀H₃₀O₄ 分子量: 334.45

IUPAC Name: (Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O

InChIKey: MYHXHCUNDDAEOZ-FOSBLDSVSA-N

InChI: 1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
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Resolvin D1
- ≥95%
- A solution in ethanol
CAS号: 872993-05-0 Compound CID : 53394122

分子式: C₂₂H₃₂O₅ 分子量: 376.5

IUPAC Name: 7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid

SMILES: CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)O

InChIKey: OIWTWACQMDFHJG-UHFFFAOYSA-N

InChI: 1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)
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顺式-4,7,10,13,16,19-二十二碳六烯酸(DHA)
- 10mM in DMSO
CAS号: 6217-54-5

分子式: C₂₂H₃₂O₂ 分子量: 328.49

IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid

SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O

InChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-N

InChI: 1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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resolvin D2
CAS号: 578008-41-0 Compound CID : 16061136

IUPAC Name: (4Z,7R,8E,10Z,12E,14E,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid

SMILES: CC/C=C\C[C@@H](C(/C=C/C=C/C=C\C=C\[C@@H](C/C=C\CCC(=O)O)O)O)O

InChIKey: IKFAUGXNBOBQDM-GIINMYNKSA-N

InChI: 1S/C22H32O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-12,14,17,19-21,23-25H,2,13,15-16,18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,11-8-,14-10+,17-12+/t19-,20-,21?/m0/s1
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Hydroxy-α-sanshool
- 10mM in DMSO
CAS号: 83883-10-7 Compound CID : 10084135

分子式: C₁₆H₂₅NO₂ 分子量: 263.38
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Hydroxy-α-sanshool
- ≥99%
CAS号: 83883-10-7 Compound CID : 10084135

分子式: C₁₆H₂₅NO₂ 分子量: 263.38

IUPAC Name: (2E,6Z,8E,10E)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide

SMILES: CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O

InChIKey: LHFKHAVGGJJQFF-UEOYEZOQSA-N

InChI: 1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+
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