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CHEBI:66918 - ergosta-5,7-dien-3β-ol

ChEBI IDCHEBI:66918
ChEBI Nameergosta-5,7-dien-3β-ol
Stars
ASCII Nameergosta-5,7-dien-3beta-ol
DefinitionA phytosterol consiting of ergostane having double bonds at the 5,6- and 7,8-positions as well as a 3β-hydroxy group.
Last Modified13 March 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@@]21C
InChIInChI=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
InChIKeyZKQRGSXITBHHPC-VVQHAZRASA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
22,23-dihydroergosterolChemIDplus
5,7-ergostadienolNIST Chemistry WebBook
24S-methylcholesta-5,7-dien-3β-olNIST Chemistry WebBook
dihydroergosterolNIST Chemistry WebBook
δ5,7-ErgostadienolNIST Chemistry WebBook
Δ5,7-ergostadien-3β-olNIST Chemistry WebBook
UniProt Name  Source
ergosta-5,7-dien-3βbeta-olUniProt
Registry NumbersSources
CAS:516-79-0ChemIDplus
CAS:516-79-0NIST Chemistry WebBook
Citations