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(20S)-3beta-Hydroxy-5alpha-cholan-24-oic Acid

PropertiesImage
MNX_IDMNXM28067 Image of MNXM28067
referencelipidmapsM:LMST04010323
formulaC24H40O3
global charge0
mol weight376.581
InChIKeySMEROWZSTRWXGI-AOUCNHLBSA-N
InChIInChI=1S/C24H40O3/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/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18-,19+,20-,21-,23-,24+/m0/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[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H40O3/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/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18-,19+,20-,21-,23-,24+/m0/s1 Image of MNXM28067
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[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

lipidmaps:LMST04010323
lipidmapsM:LMST04010323
SMEROWZSTRWXGI-AOUCNHLBSA-N
(20S)-3beta-Hydroxy-5alpha-cholan-24-oic Acid
O3
ST 24:1