Search MNXref
 Feedback

cholest-4-en-3-one

PropertiesImage
MNX_IDMNXM973 Image of MNXM973
referencechebi:16175
formulaC27H44O
global charge0
mol weight384.648
InChIKeyNYOXRYYXRWJDKP-GYKMGIIDSA-N
InChIInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
SMILESCC(C)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/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 Image of MNXM973
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:19]([CH3:3])[C@H:23]1[CH2:11][CH2:12][C@H:24]2[C@@H:22]3[CH2:10][CH2:9][C:20]4=[CH:17][C:21](=[O:28])[CH2:13][CH2:15][C@:26]4([CH3:4])[C@H:25]3[CH2:14][CH2:16][C@:27]12[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)25
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16175
chebi:16175
NYOXRYYXRWJDKP-GYKMGIIDSA-N 		cholest-4-en-3-one
4-Cholesten-3-one
4-cholesten-3-one
Cholest-4-en-3-one
Cholestenone

vmhM:4chlt3one
vmhmetabolite:4chlt3one
NYOXRYYXRWJDKP-GYKMGIIDSA-N 		4-Cholesten-3-one
(1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one

kegg.compound:C00599
keggC:C00599
NYOXRYYXRWJDKP-GYKMGIIDSA-N 		Cholest-4-en-3-one
4-Cholesten-3-one
Cholestenone
hmdb:HMDB0000921
NYOXRYYXRWJDKP-GYKMGIIDSA-N 		Cholestenone
(+)-4-Cholesten-3-one
(17b)-17-Octylandrost-4-en-3-one
(17beta)-17-Octylandrost-4-en-3-one
(17beta)-17-octylandrost-4-en-3-one
(1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
3-Oxocholest-4-ene
4-Cholesten-3-one
4-Cholestenone
Cholest-4-en-3-one
Cholesterone
D4-Cholesten-3-one
D4-Cholestenone
delta4-Cholesten-3-one
delta4-Cholestenone
delta4-cholesten-3-one
delta4-cholestenone

seed.compound:cpd00463
seedM:cpd00463
NYOXRYYXRWJDKP-GYKMGIIDSA-N 		Cholestenone
4-Cholesten-3-one
4-cholesten-3-one
4-cholestene-3-one
Cholest-4-en-3-one
cholest-4-en-3-one
cholestenone

lipidmaps:LMST01010015
lipidmapsM:LMST01010015
NYOXRYYXRWJDKP-GYKMGIIDSA-N 		Cholestenone
Cholestenone (delta 4)
O
ST 27:2
cholest-4-en-3-one

SLM:000000290
slm:000000290
NYOXRYYXRWJDKP-GYKMGIIDSA-N 		cholest-4-en-3-one

metacyc.compound:CPD-323
metacycM:CPD-323
NYOXRYYXRWJDKP-GYKMGIIDSA-N 		cholest-4-en-3-one
4-cholesten-3-one
cholestenone

hmdb:HMDB00921
chebi:13979
chebi:23171
chebi:3657
chebi:86563
keggC:M_C00599
seedM:M_cpd00463
vmhM:M_4chlt3one 		secondary/obsolete/fantasy identifier