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20S-Hydroxycholest-1-en-3,16-dione

PropertiesImage
MNX_IDMNXM35527 Image of MNXM35527
referencechebi:190362
formulaC27H42O3
global charge0
mol weight414.63
InChIKeyKIWJAFCOUILVDK-LVXDJYSUSA-N
InChIInChI=1S/C27H42O3/c1-17(2)7-6-12-27(5,30)24-23(29)16-22-20-9-8-18-15-19(28)10-13-25(18,3)21(20)11-14-26(22,24)4/h10,13,17-18,20-22,24,30H,6-9,11-12,14-16H2,1-5H3/t18-,20+,21-,22-,24-,25-,26-,27-/m0/s1
SMILESCC(C)CCC[C@](C)(O)[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/C27H42O3/c1-17(2)7-6-12-27(5,30)24-23(29)16-22-20-9-8-18-15-19(28)10-13-25(18,3)21(20)11-14-26(22,24)4/h10,13,17-18,20-22,24,30H,6-9,11-12,14-16H2,1-5H3/t18-,20+,21-,22-,24-,25-,26-,27-/m0/s1 Image of MNXM35527
SMILES (mnx)[CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:12][C@@:27]([CH3:5])([C@H:24]1[C:23](=[O:29])[CH2:16][C@H:22]2[C@@H:20]3[CH2:9][CH2:8][C@H:18]4[CH2:15][C:19](=[O:28])[CH:10]=[CH:13][C@:25]4([CH3:3])[C@H:21]3[CH2:11][CH2:14][C@@:26]21[CH3:4])[OH:30]
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:190362
chebi:190362
KIWJAFCOUILVDK-LVXDJYSUSA-N 		20S-Hydroxycholest-1-en-3,16-dione
(5S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-dione

lipidmaps:LMST01010309
lipidmapsM:LMST01010309
KIWJAFCOUILVDK-LVXDJYSUSA-N 		20S-Hydroxycholest-1-en-3,16-dione
20S-Hydroxy-5-alpha-cholest-1-en-3,16-dione
O3
ST 27:3