CHEBI:87289 - 4α-hydroxymethyl-4β-methylzymosterol

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ChEBI Name 4α-hydroxymethyl-4β-methylzymosterol
ChEBI ID CHEBI:87289
ChEBI ASCII Name 4alpha-hydroxymethyl-4beta-methylzymosterol
Definition A 3β-sterol that consists of 4β-methylzymosterol in which the 4α-hydrogen is replaced by a hydroxymethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C29H48O2
Net Charge 0
Average Mass 428.69020
Monoisotopic Mass 428.36543
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
InChIKey LEUVIESGHNFBEK-WKYRUEGDSA-N
SMILES C[C@H](CCC=C(C)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).
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ChEBI Ontology
Outgoing 4α-hydroxymethyl-4β-methylzymosterol (CHEBI:87289) has functional parent zymosterol (CHEBI:18252)
4α-hydroxymethyl-4β-methylzymosterol (CHEBI:87289) has parent hydride lanostane (CHEBI:20265)
4α-hydroxymethyl-4β-methylzymosterol (CHEBI:87289) has role human metabolite (CHEBI:77746)
4α-hydroxymethyl-4β-methylzymosterol (CHEBI:87289) is a 3β-sterol (CHEBI:35348)
4α-hydroxymethyl-4β-methylzymosterol (CHEBI:87289) is a diol (CHEBI:23824)
IUPAC Name
4α-(hydroxymethyl)-4-methyl-5α-cholesta-8,24-dien-3β-ol
Synonyms Sources
(3β,4α,5α)-4-(hydroxymethyl)-4-methylcholesta-8,24-dien-3-ol IUPAC
4α-hydroxymethyl-4β-methylzymosterol UniProt
Manual Xrefs Databases
CPD-4575 MetaCyc
HMDB0012170 HMDB
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Last Modified
20 July 2021