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5alpha-cholest-8-en-3-one

MNXM8184 is deprecated and here replaced by MNXM740536
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740536 Image of MNXM740536
referencechebi:87056
formulaC27H44O
global charge0
mol weight384.648
InChIKeyRZSXSHNNQBIPTL-ZSBATXSLSA-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/h18-20,23-24H,6-17H2,1-5H3/t19-,20+,23-,24+,26+,27-/m1/s1
SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1CC3
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/h18-20,23-24H,6-17H2,1-5H3/t19-,20+,23-,24+,26+,27-/m1/s1 Image of MNXM740536
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:22]3=[C:25]([CH2:14][CH2:16][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:15][CH2:13][C:21](=[O:28])[CH2:17][C@@H:20]1[CH2:9][CH2:10]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87056
chebi:87056
RZSXSHNNQBIPTL-ZSBATXSLSA-N 		5alpha-cholest-8-en-3-one
(5alpha)-cholest-8-en-3-one
5alpha-cholesta-8-en-3-one

bigg.metabolite:M01068
biggM:M01068
vmhM:M01068
vmhmetabolite:M01068
RZSXSHNNQBIPTL-UHFFFAOYSA-N
RZSXSHNNQBIPTL-ZSFXRWSJSA-N 		5Alpha-Cholest-8-En-3-One

SLM:000485692
slm:000485692
RZSXSHNNQBIPTL-ZSBATXSLSA-N 		5alpha-cholest-8-en-3-one
hmdb:HMDB0062414
RZSXSHNNQBIPTL-ZSBATXSLSA-N 		5alpha-cholest-8-en-3-one
(2S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-one
5a-Cholest-8-en-3-one
5a-Cholesta-8-en-3-one
5alpha-Cholesta-8-en-3-one
5alpha-cholesta-8-en-3-one

lipidmaps:LMST01010239
lipidmapsM:LMST01010239
RZSXSHNNQBIPTL-ZSBATXSLSA-N 		5alpha-cholest-8-en-3-one
5alpha-cholesta-8-en-3-one
O
ST 27:2

metacyc.compound:CPD-8620
metacycM:CPD-8620
seed.compound:cpd25366
seedM:cpd25366
RZSXSHNNQBIPTL-ZSBATXSLSA-N 		5alpha-cholesta-8-en-3-one

hmdb:HMDB62414
biggM:M_M01068
seedM:M_cpd25366
vmhM:M_M01068 		secondary/obsolete/fantasy identifier