CHEBI:66918 - ergosta-5,7-dien-3β-ol

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ChEBI Name ergosta-5,7-dien-3β-ol
ChEBI ID CHEBI:66918
ChEBI ASCII Name ergosta-5,7-dien-3beta-ol
Definition A phytosterol consiting of ergostane having double bonds at the 5,6- and 7,8-positions as well as a 3β-hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C28H46O
Net Charge 0
Average Mass 398.66420
Monoisotopic Mass 398.35487
InChI InChI=1S/C28H46O/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/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey ZKQRGSXITBHHPC-VVQHAZRASA-N
SMILES [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](C)C(C)C
ChEBI Ontology
Outgoing ergosta-5,7-dien-3β-ol (CHEBI:66918) has parent hydride 5α-ergostane (CHEBI:20652)
ergosta-5,7-dien-3β-ol (CHEBI:66918) is a 3β-sterol (CHEBI:35348)
ergosta-5,7-dien-3β-ol (CHEBI:66918) is a ergostanoid (CHEBI:50403)
ergosta-5,7-dien-3β-ol (CHEBI:66918) is a phytosterols (CHEBI:26125)
IUPAC Name
ergosta-5,7-dien-3β-ol
Synonyms Sources
(3β)-ergosta-5,7-dien-3-ol IUPAC
22,23-dihydroergosterol ChemIDplus
24-methylcholesta-5,7-dien-3-β-ol NIST Chemistry WebBook
24S-methylcholesta-5,7-dien-3β-ol NIST Chemistry WebBook
5,7-ergostadienol NIST Chemistry WebBook
Δ5,7-ergostadien-3β-ol NIST Chemistry WebBook
δ5,7-Ergostadienol NIST Chemistry WebBook
dihydroergosterol NIST Chemistry WebBook
ergosta-5,7-dien-3βbeta-ol UniProt
provitamin D4 NIST Chemistry WebBook
Registry Numbers Types Sources
516-79-0 CAS Registry Number ChemIDplus
516-79-0 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
19145063 PubMed citation Europe PMC
3321030 PubMed citation Europe PMC
7575480 PubMed citation Europe PMC
9600722 PubMed citation Europe PMC
Last Modified
13 March 2014