CHEBI:87287 - 4β-methylzymosterol-4-carbaldehyde

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ChEBI Name 4β-methylzymosterol-4-carbaldehyde
ChEBI ID CHEBI:87287
ChEBI ASCII Name 4beta-methylzymosterol-4-carbaldehyde
Definition A 3β-sterol that consists of 4β-methylzymosterol in which the 4α-hydrogen is replaced by a formyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C29H46O2
Net Charge 0
Average Mass 426.67430
Monoisotopic Mass 426.34978
InChI InChI=1S/C29H46O2/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/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1
InChIKey GFGANDKVOKQAGH-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)(C=O)[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 4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) has functional parent zymosterol (CHEBI:18252)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) has parent hydride lanostane (CHEBI:20265)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) has role human metabolite (CHEBI:77746)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) is a 3β-sterol (CHEBI:35348)
4β-methylzymosterol-4-carbaldehyde (CHEBI:87287) is a 4α-formyl steroid (CHEBI:145954)
IUPAC Name
3β-hydroxy-4-methyl-5α-cholesta-8,24-diene-4α-carbaldehyde
Synonyms Sources
(3β,4α,5α)-3-hydroxy-4-methylcholesta-8,24-diene-4-carbaldehyde IUPAC
4α-formyl-4-methylzymosterol ChEBI
4β-methylzymosterol-4α-carbaldehyde UniProt
Manual Xrefs Databases
CPD-4576 MetaCyc
HMDB0012167 HMDB
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Last Modified
09 September 2021