Search MNXref
 Feedback

Lithocholenic acid

PropertiesImage
MNX_IDMNXM27116 Image of MNXM27116
referencechebi:166736
formulaC24H38O3
global charge0
mol weight374.565
InChIKeyFEGCPHIPSRBREU-HVATVPOCSA-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/h11,13,15-21,25H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,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]3C=C[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/h11,13,15-21,25H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 Image of MNXM27116
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@@H:16]4[CH2:14][C@H:17]([OH:25])[CH2:10][CH2:12][C@:23]4([CH3:2])[C@H:21]3[CH:11]=[CH: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:166736
chebi:166736
FEGCPHIPSRBREU-HVATVPOCSA-N 		Lithocholenic acid
(4R)-4-[(3R,5R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010210
lipidmapsM:LMST04010210
FEGCPHIPSRBREU-HVATVPOCSA-N 		3alpha-Hydroxy-5beta-chol-11-en-24-oic Acid
O3
ST 24:2

CHEBI:181892
chebi:181892
FEGCPHIPSRBREU-UHFFFAOYSA-N 		4-(3-Hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid