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

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4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol

	Properties	Image
MNX_ID	MNXM37116
reference	chebi:18364
formula	C₂₉H₄₈O
global charge	0
mol weight	412.702
InChIKey	CHGIKSSZNBCNDW-QGBOJXOESA-N
InChI	InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1
SMILES	CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3

MNX internals

InChI (mnx)	InChI=1/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1
SMILES (mnx)	[CH3:1][C:19]([CH3:2])=[CH:9][CH2:8][CH2:10][C@@H:20]([CH3:3])[C@H:22]1[CH2:12][CH2:13][C@H:23]2[C:21]3=[C:24]([CH2:15][CH2:17][C@:28]12[CH3:6])[C@@:29]1([CH3:7])[CH2:18][CH2:16][C@H:26]([OH:30])[C:27]([CH3:4])([CH3:5])[C@@H:25]1[CH2:14][CH2:11]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	28
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-194633 reactomeM:R-ALL-194633 reactome:R-ALL-194704 reactomeM:R-ALL-194704 CHEBI:18364 chebi:18364 CHGIKSSZNBCNDW-QGBOJXOESA-N	4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol (3beta,5alpha)-4,4-dimethylcholesta-8,24-dien-3-ol 14-Demethyllanosterol 14-demethyllanosterol 14-desmethyllanosterol 4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol 4,4-Dimethyl-8,24-cholestadienol 4,4-dimethylcholesta-8(9),24-dien-3beta-ol 4,4-dimethylzymosterol
seed.compound:cpd03038 seedM:cpd03038 CHGIKSSZNBCNDW-QGBOJXOESA-N	14-Demethyllanosterol 14-demethyllanosterol 17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthren-3-ol 4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol 4,4-Dimethyl-8,24-cholestadienol 4,4-dimethyl-5alpha-cholesta-8,24-dien-3-beta-ol 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol 4,4-dimethyl-8,24-cholestadienol 4,4-dimethylzymosterol
kegg.compound:C05108 keggC:C05108 CHGIKSSZNBCNDW-HFPXORMNSA-N	14-Demethyllanosterol 4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol 4,4-Dimethyl-8,24-cholestadienol
vmhM:44mzym vmhmetabolite:44mzym CHGIKSSZNBCNDW-GKBRUXRCSA-N	14-demethyllanosterol (2S,5S,7R,11R,15R)-2,6,6,15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol
lipidmaps:LMST01010176 lipidmapsM:LMST01010176 CHGIKSSZNBCNDW-QGBOJXOESA-N	14-demethyllanosterol (3beta,5alpha)-4,4-dimethylcholesta-8,24-dien-3-ol 14-Demethyllanosterol 4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol 4,4-dimethylzymosterol O ST 29:2
metacyc.compound:44-DIMETHYL-824-CHOLESTADIENOL metacycM:44-DIMETHYL-824-CHOLESTADIENOL CHGIKSSZNBCNDW-QGBOJXOESA-N	14-demethyllanosterol 17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthren-3-ol 4,4-dimethyl-5alpha-cholesta-8,24-dien-3-beta-ol 4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol 4,4-dimethyl-8,24-cholestadienol 4,4-dimethylcholesta-8,24-dien-3-ol 4,4-dimethylzymosterol
bigg.metabolite:44mzym biggM:44mzym CHGIKSSZNBCNDW-QGBOJXOESA-N	4 4 dimethylzymosterol
hmdb:HMDB0001286 CHGIKSSZNBCNDW-GKBRUXRCSA-N	4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol (2S,5S,7R,11R,15R)-2,6,6,15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol (3beta,5alpha)-4,4-Dimethylcholesta-8,24-dien-3-ol 14-Demethyllanosterol 4,4-Dimethyl-5 alpha -cholesta-8,24-dien-3 beta -ol 4,4-Dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol 4,4-Dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol, (3beta)-isomer 4,4-Dimethyl-5-alpha-cholesta-8,24-dien-3-beta-ol 4,4-Dimethyl-5a-cholesta-8,24-dien-3b-ol 4,4-Dimethyl-5alpha -cholesta-8,24-dien-3-beta -ol 4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol 4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol 4,4-Dimethyl-8,24-cholestadienol 4,4-Dimethylzymosterol
CHEBI:193304 chebi:193304 CHGIKSSZNBCNDW-GKBRUXRCSA-N	4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol (3S,5R,10S,13R,14R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
SLM:000000314 slm:000000314 CHGIKSSZNBCNDW-QGBOJXOESA-N	4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol
hmdb:HMDB01286 chebi:11921 chebi:19151 chebi:755 biggM:M_44mzym keggC:M_C05108 seedM:M_cpd03038 vmhM:M_44mzym	secondary/obsolete/fantasy identifier