Terminology Service for NFDI4Health
3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
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http://purl.obolibrary.org/obo/CHEBI_70861
A triterpenoid obtained by methylation at positions 3 and 22 of squalene with concomitant double bond migration.
Term info
Label
3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
Synonyms
- (6E,10E,14E,18E)-2,3,6,10,15,19,22,23-octamethyltetracosa-1,6,10,14,18,23-hexaene
- 3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
Subsets
3_STAR
IUPAC NAME
(6E,10E,14E,18E)-2,3,6,10,15,19,22,23-octamethyltetracosa-1,6,10,14,18,23-hexaene
[
IUPAC
]
charge
0
formula
C32H54
has obo namespace
chebi_ontology
id
CHEBI:70861
inchi
InChI=1S/C32H54/c1-25(2)31(9)23-21-29(7)19-13-17-27(5)15-11-12-16-28(6)18-14-20-30(8)22-24-32(10)26(3)4/h15-16,19-20,31-32H,1,3,11-14,17-18,21-24H2,2,4-10H3/b27-15+,28-16+,29-19+,30-20+
inchikey
LYHFPFHWBXEUPX-AHFVBISTSA-N
mass
438.77120
monoisotopicmass
438.42255
smiles
CC(CC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(C)C(C)=C)C(C)=C