Search MNXref
 Feedback

3alpha-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid

PropertiesImage
MNX_IDMNXM25121 Image of MNXM25121
referencechebi:196605
formulaC24H38O4
global charge0
mol weight390.564
InChIKeyCVNYHSDFZXHMMJ-ADAHTZDYSA-N
InChIInChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18-,19+,20+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18-,19+,20+,23+,24-/m1/s1 Image of MNXM25121
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:9][C:22](=[O:27])[OH:28])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@@H:17]3[CH2:6][CH2:5][C@H:15]4[CH2:12][C@H:16]([OH:25])[CH2:10][CH2:11][C@:23]4([CH3:2])[C@H:20]3[CH2:13][C:21](=[O:26])[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:196605
chebi:196605
CVNYHSDFZXHMMJ-ADAHTZDYSA-N 		3alpha-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010385
lipidmapsM:LMST04010385
CVNYHSDFZXHMMJ-ADAHTZDYSA-N 		3alpha-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid
O4
ST 24:2