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squalene

Go to external page http://purl.obolibrary.org/obo/CHEBI_15440

A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration.

Term info

Label

squalene

Synonyms
  • (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
  • Squalene
  • squalene
database cross reference
Subsets

3_STAR

IUPAC NAME
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene [ IUPAC ]

charge

0

formula

C30H50

has alternative id

CHEBI:15104, CHEBI:10795, CHEBI:9245, CHEBI:26746, CHEBI:10843

has obo namespace

chebi_ontology

has related synonym

Supraene, Spinacene, (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene

id

CHEBI:15440

inchi

InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+

inchikey

YYGNTYWPHWGJRM-AAJYLUCBSA-N

mass

410.71800

monoisotopicmass

410.39125

smiles

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C