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3beta,5alpha,9alpha-trihydroxycholest-7-en-6-one

PropertiesImage
MNX_IDMNXM24038 Image of MNXM24038
referencechebi:188179
formulaC27H44O4
global charge0
mol weight432.645
InChIKeyZCLQYYLSPFQSHW-CFENXJPASA-N
InChIInChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h15,17-21,28,30-31H,6-14,16H2,1-5H3/t18-,19+,20-,21+,24-,25-,26-,27+/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H44O4/c1-17(2)7-6-8-18(3)20-9-10-21-22-15-23(29)27(31)16-19(28)11-12-25(27,5)26(22,30)14-13-24(20,21)4/h15,17-21,28,30-31H,6-14,16H2,1-5H3/t18-,19+,20-,21+,24-,25-,26-,27+/m1/s1 Image of MNXM24038
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:20]1[CH2:9][CH2:10][C@H:21]2[C:22]3=[CH:15][C:23](=[O:29])[C@@:27]4([OH:31])[CH2:16][C@@H:19]([OH:28])[CH2:11][CH2:12][C@:25]4([CH3:5])[C@@:26]3([OH:30])[CH2:14][CH2:13][C@:24]12[CH3:4]
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:188179
chebi:188179
ZCLQYYLSPFQSHW-CFENXJPASA-N 		3beta,5alpha,9alpha-trihydroxycholest-7-en-6-one
(3S,5R,9R,10R,13R,14R,17R)-3,5,9-trihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

lipidmaps:LMST01010258
lipidmapsM:LMST01010258
ZCLQYYLSPFQSHW-CFENXJPASA-N 		3beta,5alpha,9alpha-trihydroxycholest-7-en-6-one
O4
ST 27:2