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

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4,4-dimethyl-5alpha-cholest-7-en-3beta-ol

MNXM1362 is deprecated and here replaced by MNXM728180
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM728180
reference	chebi:16455
formula	C₂₉H₅₀O
global charge	0
mol weight	414.718
InChIKey	UVNXFLZMQCAWCP-RCTKLBHESA-N
InChI	InChI=1S/C29H50O/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/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24+,25+,26+,28-,29-/m1/s1
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

MNX internals

InChI (mnx)	InChI=1/C29H50O/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/h11,19-20,22-26,30H,8-10,12-18H2,1-7H3/t20-,22-,23+,24+,25+,26+,28-,29-/m1/s1
SMILES (mnx)	[CH3:1][CH:19]([CH3:2])[CH2:9][CH2:8][CH2:10][C@@H:20]([CH3:3])[C@H:22]1[CH2:12][CH2:13][C@H:23]2[C:21]3=[CH:11][CH2:14][C@H:25]4[C:27]([CH3:4])([CH3:5])[C@@H:26]([OH:30])[CH2:16][CH2:18][C@:29]4([CH3:7])[C@H:24]3[CH2:15][CH2:17][C@:28]12[CH3:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16455 chebi:16455 UVNXFLZMQCAWCP-RCTKLBHESA-N	4,4-dimethyl-5alpha-cholest-7-en-3beta-ol 4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol
sabiork.compound:7377 sabiorkM:7377 UVNXFLZMQCAWCP-RCTKLBHESA-N	4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol
seed.compound:cpd02759 seedM:cpd02759 UVNXFLZMQCAWCP-RCTKLBHESA-N	4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol 4,4-Dimethylcholest-7-ene-3-ol 4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
metacyc.compound:44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET metacycM:44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET UVNXFLZMQCAWCP-RCTKLBHESA-N	4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
hmdb:HMDB0304161 UVNXFLZMQCAWCP-RCTKLBHESA-N	4,4-dimethyl-5alpha-cholest-7-en-3beta-ol (1R,2R,5S,7R,11R,14R,15R)-2,6,6,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol 4,4-Dimethyl-5 alpha-cholest-7-ene-3 beta-ol 4,4-Dimethyl-5a-cholest-7-en-3b-ol 4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol 4,4-Dimethylcholest-7-ene-3-ol 4,4-dimethylzymosterol
lipidmaps:LMST01010207 lipidmapsM:LMST01010207 UVNXFLZMQCAWCP-RCTKLBHESA-N	4,4-dimethyl-5alpha-cholest-7-en-3beta-ol 4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol 4,4-dimethyl-5alpha-cholest-7-en-3beta-ol O ST 29:1
chebi:11919 chebi:1742 chebi:20266 seedM:M_cpd02759	secondary/obsolete/fantasy identifier