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cholest-5-en-3-one

MNXM2990 is deprecated and here replaced by MNXM733654
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM733654 Image of MNXM733654
referencechebi:63906
formulaC27H44O
global charge0
mol weight384.648
InChIKeyGGCLNOIGPMGLDB-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/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=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/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 Image of MNXM733654
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][CH:9]=[C:20]4[CH2:17][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)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63906
chebi:63906
GGCLNOIGPMGLDB-GYKMGIIDSA-N 		cholest-5-en-3-one
5-cholesten-3-one
Delta(5)-cholestenone
cholestenone
cholesterone
oxidized cholesterol

lipidmaps:LMST01010248
lipidmapsM:LMST01010248
GGCLNOIGPMGLDB-GYKMGIIDSA-N 		3-ketocholesterol
Cholest-5-en-3-one
Cholestenone (delta 5)
O
ST 27:2

sabiork.compound:28937
sabiorkM:28937
GGCLNOIGPMGLDB-GYKMGIIDSA-N 		5-Cholesten-3-one
3-Oxocholesterol

metacyc.compound:CPD-13684
metacycM:CPD-13684
seed.compound:cpd23992
seedM:cpd23992
SLM:000000288
slm:000000288
GGCLNOIGPMGLDB-GYKMGIIDSA-N 		cholest-5-en-3-one

seedM:M_cpd23992 		secondary/obsolete/fantasy identifier