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CHEBI:27910 - 7-dehydrodesmosterol

ChEBI IDCHEBI:27910
ChEBI Name7-dehydrodesmosterol
Stars
DefinitionA 3β-sterol having the structure of desmosterol with an extra double bond at C-7—C-8.
Secondary ChEBI IDsCHEBI:2257, CHEBI:20788
Last Modified17 July 2021
DownloadsMolfile
FormulaC27H42O
Net Charge0
Average Mass382.632
Monoisotopic Mass382.32357
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKeyRUSSPKPUXDSHNC-DDPQNLDTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
7-dehydrodesmosterol (CHEBI:27910) has functional parent desmosterol (CHEBI:17737)
7-dehydrodesmosterol (CHEBI:27910) has role human metabolite (CHEBI:77746)
7-dehydrodesmosterol (CHEBI:27910) has role mouse metabolite (CHEBI:75771)
7-dehydrodesmosterol (CHEBI:27910) is a 3β-sterol (CHEBI:35348)
IUPAC Name 
(3β)-cholesta-5,7,24-trien-3-ol
Synonyms  Source
7-DehydrodesmosterolKEGG COMPOUND
cholesta-5,7,24-trien-3β-olChemIDplus
24-dehydroprovitamin D3ChemIDplus
Cholesta-5,7,24-triene-3beta-olKEGG COMPOUND
UniProt Name  Source
7-dehydrodesmosterolUniProt
Manual XrefsDatabases
C05107KEGG COMPOUND
LMST01010121LIPID MAPS
Registry NumbersSources
Beilstein:2569831Beilstein
CAS:1715-86-2ChemIDplus
CAS:1715-86-2KEGG COMPOUND