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CHEBI:64762 - dehydroergosterol

ChEBI IDCHEBI:64762
ChEBI Namedehydroergosterol
Stars
DefinitionA phytosterol consiting of ergostane having double bonds at the 5,6-, 7,8- 9,11- and 22,23-positions as well as a 3β-hydroxy group.
Last Modified17 January 2023
SubmitterSteve
DownloadsMolfile
FormulaC28H42O
Net Charge0
Average Mass394.643
Monoisotopic Mass394.32357
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC=C1C2=CC=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1
InChIKeyQSVJYFLQYMVBDR-CMNOFMQQSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
dehydroergosterol (CHEBI:64762) has role biomarker (CHEBI:59163)
dehydroergosterol (CHEBI:64762) has role metabolite (CHEBI:25212)
dehydroergosterol (CHEBI:64762) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
dehydroergosterol (CHEBI:64762) is a 3β-sterol (CHEBI:35348)
dehydroergosterol (CHEBI:64762) is a ergostanoid (CHEBI:50403)
dehydroergosterol (CHEBI:64762) is a phytosterols (CHEBI:26125)
IUPAC Name 
(22E)-ergosta-5,7,9(11),22-tetraen-3β-ol
Synonyms  Source
Ergosta-5,7,9(11),22-tetraen-3beta-olChemIDplus
delta(5,7,9(11)22)-Ergostatetraen-3-olChemIDplus
(3β,22E)-ergosta-5,7,9(11),22-tetraen-3-olIUPAC
Manual XrefsDatabases
LMST01031023LIPID MAPS
Registry NumbersSources
Reaxys:3218613Reaxys
CAS:516-85-8ChemIDplus
Citations