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3alpha-Hydroxychol-4-en-24-oic Acid

PropertiesImage
MNX_IDMNXM26813 Image of MNXM26813
referencechebi:188222
formulaC24H38O3
global charge0
mol weight374.565
InChIKeyPBEOKCZYNAQOKE-HBRDEYFMSA-N
InChIInChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h14-15,17-21,25H,4-13H2,1-3H3,(H,26,27)/t15-,17-,18+,19-,20+,21+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h14-15,17-21,25H,4-13H2,1-3H3,(H,26,27)/t15-,17-,18+,19-,20+,21+,23+,24-/m1/s1 Image of MNXM26813
SMILES (mnx)[CH3:1][C@H:15]([CH2:4][CH2:9][C:22](=[O:26])[OH:27])[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C@@H:18]3[CH2:6][CH2:5][C:16]4=[CH:14][C@H:17]([OH:25])[CH2:10][CH2:12][C@:23]4([CH3:2])[C@H:21]3[CH2:11][CH2:13][C@:24]12[CH3:3]
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:188222
chebi:188222
PBEOKCZYNAQOKE-HBRDEYFMSA-N 		3alpha-Hydroxychol-4-en-24-oic Acid
(4R)-4-[(3R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010198
lipidmapsM:LMST04010198
PBEOKCZYNAQOKE-HBRDEYFMSA-N 		3alpha-Hydroxychol-4-en-24-oic Acid
O3
ST 24:2