MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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4alpha-methyl-5alpha-cholest-8-en-3-one

MNXM10266 is deprecated and here replaced by MNXM726099
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM726099
reference	chebi:87050
formula	C₂₈H₄₆O
global charge	0
mol weight	398.675
InChIKey	SDZUXFFGOQZLPK-SINUOACOSA-N
InChI	InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3

MNX internals

InChI (mnx)	InChI=1/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1
SMILES (mnx)	[CH3:1][CH:18]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:19]([CH3:3])[C@H:22]1[CH2:12][CH2:13][C@H:24]2[C:21]3=[C:25]([CH2:14][CH2:16][C@:27]12[CH3:5])[C@@:28]1([CH3:6])[CH2:17][CH2:15][C:26](=[O:29])[C@@H:20]([CH3:4])[C@@H:23]1[CH2:11][CH2:10]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87050 chebi:87050 SDZUXFFGOQZLPK-SINUOACOSA-N	4alpha-methyl-5alpha-cholest-8-en-3-one (4alpha,5alpha)-4-methylcholest-8-en-3-one
SLM:000485690 slm:000485690 SDZUXFFGOQZLPK-SINUOACOSA-N	4alpha-methyl-5alpha-cholest-8-en-3-one
metacyc.compound:CPD-8614 metacycM:CPD-8614 seed.compound:cpd25362 seedM:cpd25362 SDZUXFFGOQZLPK-SINUOACOSA-N	4alpha-methyl-5alpha-cholesta-8-en-3-one
hmdb:HMDB0062393 SDZUXFFGOQZLPK-SINUOACOSA-N	4alpha-methyl-5alpha-cholesta-8-en-3-one (2S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-one 4a-Methyl-5a-cholest-8-en-3-one 4alpha-methyl-5alpha-cholest-8-en-3-one
lipidmaps:LMST01010236 lipidmapsM:LMST01010236 SDZUXFFGOQZLPK-SINUOACOSA-N	4alpha-methyl-5alpha-cholesta-8-en-3-one O ST 28:2
hmdb:HMDB62393 seedM:M_cpd25362	secondary/obsolete/fantasy identifier