Search MNXref
 Feedback

(20S,22E)-3beta-Hydroxy-5alpha-chol-22-en-24-oic Acid

PropertiesImage
MNX_IDMNXM22553 Image of MNXM22553
referencechebi:193247
formulaC24H38O3
global charge0
mol weight374.565
InChIKeyRDDXJZKKQGXAHS-PMOKAGDPSA-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/h4,9,15-21,25H,5-8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,16-,17-,18-,19+,20-,21-,23-,24+/m0/s1
SMILESC[C@@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[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/h4,9,15-21,25H,5-8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,16-,17-,18-,19+,20-,21-,23-,24+/m0/s1 Image of MNXM22553
SMILES (mnx)[CH3:1][C@@H:15](/[CH:4]=[CH: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[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:193247
chebi:193247
RDDXJZKKQGXAHS-PMOKAGDPSA-N 		(20S,22E)-3beta-Hydroxy-5alpha-chol-22-en-24-oic Acid
(E,4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid

lipidmaps:LMST04010324
lipidmapsM:LMST04010324
RDDXJZKKQGXAHS-PMOKAGDPSA-N 		(20S,22E)-3beta-Hydroxy-5alpha-chol-22-en-24-oic Acid
O3
ST 24:2