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3alpha,12alpha,15beta-Trihydroxy-5beta,-chol-8(14)-en-24-oic Acid

PropertiesImage
MNX_IDMNXM27178 Image of MNXM27178
referencechebi:193543
formulaC24H38O5
global charge0
mol weight406.563
InChIKeyRRRJFLXVNRAKLH-ZWUUCCFBSA-N
InChIInChI=1S/C24H38O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-15,17-20,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,17-,18+,19-,20+,23+,24+/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1C[C@@H](O)C2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
MNX internals
InChI (mnx)InChI=1/C24H38O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-15,17-20,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,17-,18+,19-,20+,23+,24+/m1/s1 Image of MNXM27178
SMILES (mnx)[CH3:1][C@H:13]([CH2:4][CH2:7][C:21](=[O:28])[OH:29])[C@H:17]1[CH2:11][C@@H:19]([OH:26])[C:22]2=[C:16]3[CH2:6][CH2:5][C@@H:14]4[CH2:10][C@H:15]([OH:25])[CH2:8][CH2:9][C@:23]4([CH3:2])[C@H:18]3[CH2:12][C@H:20]([OH:27])[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:193543
chebi:193543
RRRJFLXVNRAKLH-ZWUUCCFBSA-N 		3alpha,12alpha,15beta-Trihydroxy-5beta,-chol-8(14)-en-24-oic Acid
(4R)-4-[(3R,5R,9R,10S,12S,13R,15R,17R)-3,12,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010358
lipidmapsM:LMST04010358
RRRJFLXVNRAKLH-ZWUUCCFBSA-N 		3alpha,12alpha,15beta-Trihydroxy-5beta-chol-8(14)-en-24-oic Acid
O5
ST 24:2