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6alpha-Hydroxy-3-oxochol-4-en-24-oic Acid

PropertiesImage
MNX_IDMNXM29949 Image of MNXM29949
referencechebi:178702
formulaC24H36O4
global charge0
mol weight388.548
InChIKeyVNVAJHCQVWXNTN-TWYCKBTRSA-N
InChIInChI=1S/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14,16-19,21,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,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]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14,16-19,21,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,21+,23-,24-/m1/s1 Image of MNXM29949
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:7][C:22](=[O:27])[OH:28])[C@H:17]1[CH2:5][CH2:6][C@H:18]2[C@@H:16]3[CH2:13][C@H:21]([OH:26])[C:20]4=[CH:12][C:15](=[O:25])[CH2:8][CH2:10][C@:24]4([CH3:3])[C@H:19]3[CH2:9][CH2:11][C@:23]12[CH3:2]
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:178702
chebi:178702
VNVAJHCQVWXNTN-TWYCKBTRSA-N 		6alpha-Hydroxy-3-oxochol-4-en-24-oic Acid
(4R)-4-[(6S,8S,9S,10R,13R,14S,17R)-6-hydroxy-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:LMST04010406
lipidmapsM:LMST04010406
VNVAJHCQVWXNTN-TWYCKBTRSA-N 		6alpha-Hydroxy-3-oxochol-4-en-24-oic Acid
O4
ST 24:3