CHEBI:64762 - dehydroergosterol

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ChEBI Name dehydroergosterol
ChEBI ID CHEBI:64762
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H42O
Net Charge 0
Average Mass 394.63250
Monoisotopic Mass 394.32357
InChI InChI=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
InChIKey QSVJYFLQYMVBDR-CMNOFMQQSA-N
SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(3β,22E)-ergosta-5,7,9(11),22-tetraen-3-ol IUPAC
delta(5,7,9(11)22)-Ergostatetraen-3-ol ChemIDplus
Ergosta-5,7,9(11),22-tetraen-3beta-ol ChemIDplus
Manual Xref Database
LMST01031023 LIPID MAPS
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Registry Numbers Types Sources
3218613 Reaxys Registry Number Reaxys
516-85-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
17 January 2023