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6beta,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid

PropertiesImage
MNX_IDMNXM22676 Image of MNXM22676
referencechebi:186631
formulaC24H36O5
global charge0
mol weight404.547
InChIKeyNPSKJGGJEGVABO-PVWAIWJUSA-N
InChIInChI=1S/C24H36O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h10,13,15-18,20-21,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,15+,16-,17+,18+,20-,21+,23-,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H36O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h10,13,15-18,20-21,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,15+,16-,17+,18+,20-,21+,23-,24-/m1/s1 Image of MNXM22676
SMILES (mnx)[CH3:1][C@H:13]([CH2:4][CH2:7][C:22](=[O:28])[OH:29])[C@H:16]1[CH2:5][CH2:6][C@H:17]2[C@@H:15]3[CH2:11][C@@H:20]([OH:26])[C:19]4=[CH:10][C:14](=[O:25])[CH2:8][CH2:9][C@:23]4([CH3:2])[C@H:18]3[CH2:12][C@H:21]([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:186631
chebi:186631
NPSKJGGJEGVABO-PVWAIWJUSA-N 		6beta,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid
(4R)-4-[(6R,8R,9S,10R,12S,13R,14S,17R)-6,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010271
lipidmapsM:LMST04010271
NPSKJGGJEGVABO-PVWAIWJUSA-N 		6beta,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid
O5
ST 24:3