代谢物 - 小分子和化合物库

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维生素A酸
- ≥98%
CAS号: 302-79-4 EC号: 206-129-0

分子式: C₂₀H₂₈O₂ 分子量: 300.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

InChI: 1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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维生素A酸
CAS号: 302-79-4 EC号: 206-129-0

分子式: C₂₀H₂₈O₂ 分子量: 300.44

IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid

SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

InChIKey: SHGAZHPCJJPHSC-YCNIQYBTSA-N

InChI: 1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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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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植烷酸
- A solution in ethanol,＞96%
CAS号: 14721-66-5 Compound CID : 26840

分子式: C₂₀H₄₀O₂ 分子量: 312.53

IUPAC Name: 3,7,11,15-tetramethylhexadecanoic acid

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

InChIKey: RLCKHJSFHOZMDR-UHFFFAOYSA-N

InChI: 1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
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植烷酸
- ≥96%
- mixture of isomers
CAS号: 14721-66-5 Compound CID : 26840

分子式: C₂₀H₄₀O₂ 分子量: 312.53

IUPAC Name: 3,7,11,15-tetramethylhexadecanoic acid

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

InChIKey: RLCKHJSFHOZMDR-UHFFFAOYSA-N

InChI: 1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
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pregnenolone sulphate
CAS号: 1247-64-9 Compound CID : 105074

IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C

InChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-N

InChI: 1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
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