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

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4alpha-hydroxymethyl-4beta-methylzymosterol

MNXM6114 is deprecated and here replaced by MNXM738830
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM738830
reference	chebi:87289
formula	C₂₉H₄₈O₂
global charge	0
mol weight	428.701
InChIKey	LEUVIESGHNFBEK-WKYRUEGDSA-N
InChI	InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,20,22-23,25-26,30-31H,7,9-18H2,1-6H3/t20-,22-,23+,25-,26+,27-,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)(CO)[C@@H]1CC3

MNX internals

InChI (mnx)	InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,20,22-23,25-26,30-31H,7,9-18H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1
SMILES (mnx)	[CH3:1][C:19]([CH3:2])=[CH:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C:21]3=[C:24]([CH2:14][CH2:16][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:17][CH2:15][C@H:26]([OH:31])[C@@:29]([CH3:6])([CH2:18][OH:30])[C@@H:25]1[CH2:13][CH2:10]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87289 chebi:87289 LEUVIESGHNFBEK-WKYRUEGDSA-N	4alpha-hydroxymethyl-4beta-methylzymosterol (3beta,4alpha,5alpha)-4-(hydroxymethyl)-4-methylcholesta-8,24-dien-3-ol 4alpha-(hydroxymethyl)-4-methyl-5alpha-cholesta-8,24-dien-3beta-ol
metacyc.compound:CPD-4575 metacycM:CPD-4575 seed.compound:cpd24503 seedM:cpd24503 SLM:000485693 slm:000485693 LEUVIESGHNFBEK-WKYRUEGDSA-N	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
hmdb:HMDB0062390 LEUVIESGHNFBEK-WKYRUEGDSA-N	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol (2S,5S,6R,7R,11R,14R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol (3b,4a,5a)-4-(Hydroxymethyl)-4-methylcholesta-8,24-dien-3-ol (3beta,4alpha,5alpha)-4-(Hydroxymethyl)-4-methylcholesta-8,24-dien-3-ol (3beta,4alpha,5alpha)-4-(hydroxymethyl)-4-methylcholesta-8,24-dien-3-ol 4a-Hydroxymethyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol 4a-Hydroxymethyl-4b-methylzymosterol 4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol 4alpha-hydroxymethyl-4beta-methylzymosterol
lipidmaps:LMST01010232 lipidmapsM:LMST01010232 LEUVIESGHNFBEK-WKYRUEGDSA-N	4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol O2 ST 29:2
hmdb:HMDB62390 seedM:M_cpd24503	secondary/obsolete/fantasy identifier