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

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desmosterol

	Properties	Image
MNX_ID	MNXM730572
reference	chebi:17737
formula	C₂₇H₄₄O
global charge	0
mol weight	384.648
InChIKey	AVSXSVCZWQODGV-DPAQBDIFSA-N
InChI	InChI=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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES	CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (mnx)	[CH3:1][C:18]([CH3:2])=[CH: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@@H:21]([OH: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)	14
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-196420 reactomeM:R-ALL-196420 CHEBI:17737 chebi:17737 AVSXSVCZWQODGV-DPAQBDIFSA-N	desmosterol 24-Dehydrocholesterol 3beta-cholesta-5,24-dien-3-ol Cholesta-5,24-dien-3beta-ol Desmosterol cholesta-5,24-dien-3beta-ol
lipidmaps:LMST01010090 lipidmapsM:LMST01010090 AVSXSVCZWQODGV-DPAQBDIFSA-N	Desmosterol(d6) cholest-5,24-dien-3beta-ol(d6)
hmdb:HMDB0002719 AVSXSVCZWQODGV-DPAQBDIFSA-N	Desmosterol (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol (3beta)-Cholesta-5,24-dien-3-ol (3beta)-cholesta-5,24-dien-3-ol 24 Dehydrocholesterol 24,25-Dehydrocholesterol 24-Dehydrocholesterol 3b-Cholesta-5,24-dien-3-ol 3beta-Cholesta-5,24-dien-3-ol 3beta-cholesta-5,24-dien-3-ol Cholest-5,24-dien-3beta-ol Cholesta-5,24-dien-3-ol Cholesta-5,24-dien-3b-ol Cholesta-5,24-dien-3beta-ol Demosterol
seed.compound:cpd01243 seedM:cpd01243 AVSXSVCZWQODGV-DPAQBDIFSA-N	Desmosterol 24-Dehydrocholesterol 24-dehydrocholesterol Cholesta-5,24-dien-3beta-ol delta5,24-cholestadien-3-beta-ol desmesterol desmosterol
sabiork.compound:5813 sabiorkM:5813 kegg.compound:C01802 keggC:C01802 AVSXSVCZWQODGV-DPAQBDIFSA-N	Desmosterol 24-Dehydrocholesterol Cholesta-5,24-dien-3beta-ol
bigg.metabolite:dsmsterol biggM:dsmsterol AVSXSVCZWQODGV-DPAQBDIFSA-N	Desmosterol 3beta-cholesta-5,24-dien-3-ol
lipidmaps:LMST01010016 lipidmapsM:LMST01010016 AVSXSVCZWQODGV-DPAQBDIFSA-N	Desmosterol O ST 27:2 cholest-5,24-dien-3beta-ol
SLM:000399872 slm:000399872 AVSXSVCZWQODGV-DPAQBDIFSA-N	desmosterol
vmhM:dsmsterol vmhmetabolite:dsmsterol AVSXSVCZWQODGV-DPAQBDIFSA-N	desmosterol (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol
metacyc.compound:DESMOSTEROL-CPD metacycM:DESMOSTEROL-CPD AVSXSVCZWQODGV-DPAQBDIFSA-N	desmosterol 24-dehydrocholesterol Delta5,24-cholestadien-3-beta-ol desmesterol
hmdb:HMDB02719 chebi:14130 chebi:23646 chebi:4451 biggM:M_dsmsterol keggC:M_C01802 seedM:M_cpd01243 vmhM:M_dsmsterol	secondary/obsolete/fantasy identifier