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3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-al

PropertiesImage
MNX_IDMNXM29795 Image of MNXM29795
referencechebi:193208
formulaC24H40O4
global charge0
mol weight392.58
InChIKeyZYUGWIRQWCNRJP-YHEMGIGTSA-N
InChIInChI=1S/C24H40O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h10,14-22,26-28H,4-9,11-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
SMILESC[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H40O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h10,14-22,26-28H,4-9,11-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1 Image of MNXM29795
SMILES (mnx)[CH3:1][C@H:14]([CH2:5][CH2:4][CH:10]=[O:25])[C@H:17]1[CH2:6][CH2:7][C@H:18]2[C@H:22]3[C@H:19]([CH2:13][C@H:21]([OH:28])[C@:24]12[CH3:3])[C@@:23]1([CH3:2])[CH2:9][CH2:8][C@@H:16]([OH:26])[CH2:11][C@H:15]1[CH2:12][C@H:20]3[OH:27]
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:193208
chebi:193208
ZYUGWIRQWCNRJP-YHEMGIGTSA-N 		3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-al
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanal

lipidmaps:LMST04010309
lipidmapsM:LMST04010309
ZYUGWIRQWCNRJP-YHEMGIGTSA-N 		3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-al
O4
ST 24:1