CHEBI:87045 - 4α-hydroxymethyl-4β-methyl-5α-8-cholesten-3β-ol

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ChEBI Name 4α-hydroxymethyl-4β-methyl-5α-8-cholesten-3β-ol
ChEBI ID CHEBI:87045
ChEBI ASCII Name 4alpha-hydroxymethyl-4beta-methyl-5alpha-8-cholesten-3beta-ol
Definition A 3β-sterol that is 5α-cholest-8-en-3β-ol carrying hydroxymethyl and methyl substituents at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Supplier Information
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Formula C29H50O2
Net Charge 0
Average Mass 430.70610
Monoisotopic Mass 430.38108
InChI InChI=1S/C29H50O2/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/h19-20,22-23,25-26,30-31H,7-18H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1
InChIKey UVSRXDFMOZKKGE-WKYRUEGDSA-N
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
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4α-hydroxymethyl-4β-methyl-5α-8-cholesten-3β-ol (CHEBI:87045) has role human metabolite (CHEBI:77746)
4α-hydroxymethyl-4β-methyl-5α-8-cholesten-3β-ol (CHEBI:87045) is a 3β-sterol (CHEBI:35348)
4α-hydroxymethyl-4β-methyl-5α-8-cholesten-3β-ol (CHEBI:87045) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3β,4α,5α)-4-(hydroxymethyl)-4-methylcholest-8-en-3-ol
Synonyms Sources
4α-(hydroxymethyl)-4-methyl-5α-cholest-8-en-3β-ol ChEBI
4α-hydroxymethyl-4β-methyl-5α-cholest-8-en-3β-ol UniProt
Manual Xrefs Databases
CPD-8611 MetaCyc
HMDB0012171 HMDB
LMST01010233 LIPID MAPS
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Last Modified
03 August 2015