Search MNXref
 Feedback

7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid

PropertiesImage
MNX_IDMNXM28302 Image of MNXM28302
referencechebi:193541
formulaC24H38O4
global charge0
mol weight390.564
InChIKeyAIBUGMOPZPLNNP-QLEQUTGBSA-N
InChIInChI=1S/C24H38O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h4,6,14-20,22,25-26H,5,7-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C=CCC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h4,6,14-20,22,25-26H,5,7-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 Image of MNXM28302
SMILES (mnx)[CH3:1][C@H:14]([CH2:7][CH2:10][C:21](=[O:27])[OH:28])[C@H:16]1[CH2:8][CH2:9][C@H:17]2[C@H:22]3[C@H:18]([CH2:13][C@H:20]([OH:26])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:11][CH2:5][CH:4]=[CH:6][C@H:15]1[CH2:12][C@H:19]3[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:193541
chebi:193541
AIBUGMOPZPLNNP-QLEQUTGBSA-N 		7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid
(4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010226
lipidmapsM:LMST04010226
AIBUGMOPZPLNNP-QLEQUTGBSA-N 		7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid
O4
ST 24:2