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5beta-cholestan-3-one

MNXM4406 is deprecated and here replaced by MNXM736155
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736155 Image of MNXM736155
referencechebi:16074
formulaC27H46O
global charge0
mol weight386.664
InChIKeyPESKGJQREUXSRR-JDIFZLMISA-N
InChIInChI=1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1 Image of MNXM736155
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@@H: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)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16074
chebi:16074
PESKGJQREUXSRR-JDIFZLMISA-N 		5beta-cholestan-3-one
5beta-Cholestan-3-one
Coprostan-3-one

kegg.compound:C03091
keggC:C03091
PESKGJQREUXSRR-JDIFZLMISA-N 		5beta-Cholestan-3-one
Coprostan-3-one
hmdb:HMDB0011182
PESKGJQREUXSRR-JDIFZLMISA-N 		5beta-Cholestanone
(1S,2S,7R,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one
5-Glutamyl-taurine
5b-Cholestanone
5beta-Cholestan-3-one
5beta-cholestan-3-one
5beta-cholestanone
Coprostan-3-one
Glautaurine
Glutaurin
Glutaurin, (D)-isomer
Glutaurina
Glutaurine
Glutaurinum
Litoralon
alpha-Glutamyl taurine
alpha-Glutamyltaurine
g-GT
g-Glutamyltaurine
g-L-Glutamyltaurine
gamma-GT
gamma-Glutamyltaurine
gamma-L-Glutamyl-taurine
gamma-L-Glutamyltaurine
gamma-L-glutamyltaurine
gamma-glutamyltaurine

SLM:000485358
slm:000485358
PESKGJQREUXSRR-JDIFZLMISA-N 		5beta-cholestan-3-one

metacyc.compound:CPD-1082
metacycM:CPD-1082
PESKGJQREUXSRR-JDIFZLMISA-N 		5beta-cholestan-3-one
beta-cholestan-3-one
coprostan-3-one

lipidmaps:LMST01010205
lipidmapsM:LMST01010205
PESKGJQREUXSRR-JDIFZLMISA-N 		5beta-cholestanone
5beta-Cholestan-3-one
5beta-cholestan-3-one
Coprostan-3-one
O
ST 27:1

vmhM:cprst3one
vmhmetabolite:cprst3one
PESKGJQREUXSRR-JDIFZLMISA-N 		Coprostan-3-one
(1S,2S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

seed.compound:cpd01983
seedM:cpd01983
PESKGJQREUXSRR-JDIFZLMISA-N 		Coprostan-3-one
5beta-Cholestan-3-one
5beta-cholestan-3-one
beta-cholestan-3-one
coprostan-3-one

hmdb:HMDB11182
chebi:12177
chebi:20665
chebi:2146
keggC:M_C03091
seedM:M_cpd01983
vmhM:M_cprst3one 		secondary/obsolete/fantasy identifier