Terminology Service for NFDI4Health
2,3-epoxysqualene
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http://purl.obolibrary.org/obo/CHEBI_78662
A squalene triterpenoid obtained by formal epoxidation across the 2,3 C=C bond of squalene.
Term info
Label
2,3-epoxysqualene
Synonyms
- 2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
Subsets
3_STAR
IUPAC NAME
2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane
[
IUPAC
]
charge
0
formula
C30H50O
has obo namespace
chebi_ontology
has related synonym
2,3-Epoxy-2,3-dihydrosqualene, Squalene-2,3-oxide, 2,3-Oxidosqualene, Squalene-2,3-epoxide, 2,3-Edsq
id
CHEBI:78662
inchi
InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
inchikey
QYIMSPSDBYKPPY-BANQPHDMSA-N
mass
426.71740
monoisotopicmass
426.38617
smiles
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C