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(25S)-3-oxocholest-4-en-26-ol

PropertiesImage
MNX_IDMNXM145957 Image of MNXM145957
referencechebi:83860
formulaC27H44O2
global charge0
mol weight400.647
InChIKeyCXUORUGFOXGJNY-NYJSJAOLSA-N
InChIInChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18-,19+,22-,23+,24-,25-,26-,27+/m0/s1
SMILESC[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18-,19+,22-,23+,24-,25-,26-,27+/m0/s1 Image of MNXM145957
SMILES (mnx)[CH3:1][C@@H:18]([CH2:6][CH2:5][CH2:7][C@@H:19]([CH3:2])[C@H:23]1[CH2:10][CH2:11][C@H:24]2[C@@H:22]3[CH2:9][CH2:8][C:20]4=[CH:16][C:21](=[O:29])[CH2:12][CH2:14][C@:26]4([CH3:3])[C@H:25]3[CH2:13][CH2:15][C@:27]12[CH3:4])[CH2:17][OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83860
chebi:83860
CXUORUGFOXGJNY-NYJSJAOLSA-N 		(25S)-3-oxocholest-4-en-26-ol
(25S)-26-hydroxycholest-4-en-3-one

kegg.compound:C20143
keggC:C20143
CXUORUGFOXGJNY-NYJSJAOLSA-N 		(25S)-26-Hydroxycholest-4-en-3-one

metacyc.compound:CPD-13887
metacycM:CPD-13887
CXUORUGFOXGJNY-NYJSJAOLSA-N 		(25S)-26-hydroxycholest-4-en-3-one
(25S)-3-oxocholest-4-en-26-ol

SLM:000399832
slm:000399832
CXUORUGFOXGJNY-NYJSJAOLSA-N 		(25S)-3-oxocholest-4-en-26-ol

seed.compound:cpd21376
seedM:cpd21376
CXUORUGFOXGJNY-XVENTEFESA-N 		26-Hydroxycholest-4-en-3-one

SLM:000389890
slm:000389890
CXUORUGFOXGJNY-XVENTEFESA-N 		3-oxocholest-4-en-26-ol

seed.compound:cpd24075
seedM:cpd24075
CXUORUGFOXGJNY-NYJSJAOLSA-N 		3-oxocholest-4-en-26-ol
(25S)-26-hydroxycholest-4-en-3-one
(25S)-3-oxocholest-4-en-26-ol

CHEBI:63640
chebi:63640
CXUORUGFOXGJNY-XVENTEFESA-N 		3-oxocholest-4-en-26-ol
(25xi)-26-hydroxycholest-4-en-3-one
26-hydroxycholest-4-en-3-one
cholest-4-ene-26-ol-3-one

chebi:84727
keggC:M_C20143
seedM:M_cpd21376
seedM:M_cpd24075 		secondary/obsolete/fantasy identifier