Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:45:26 UTC
Update Date2022-08-12 20:09:15 UTC
Metabolite IDMMDBc0055173
Metabolite Identification
Common Name15-cis-4,4'-diapophytoene
Description15-cis-4,4'-diapophytoene, also known as dehydrosqualene, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Thus, 15-cis-4,4'-diapophytoene is considered to be an isoprenoid. Based on a literature review very few articles have been published on 15-cis-4,4'-diapophytoene.
Structure
Synonyms
ValueSource
(12Z)-DehydrosqualeneChEBI
12-cis-DehydrosqualeneChEBI
12cis-DehydrosqualeneChEBI
DehydrosqualeneChEBI
Molecular FormulaC30H48
Average Mass408.714
Monoisotopic Mass408.375601546
IUPAC Name(6E,10E,12Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene
Traditional Name15-cis-4,4'-diapophytoene
CAS Registry NumberNot Available
SMILES
[H]C(CC\C(C)=C(/[H])\C(\[H])=C(\[H])C([H])=C(C)CC\C([H])=C(/C)CCC=C(C)C)=C(C)CCC=C(C)C
InChI Identifier
InChI=1S/C30H48/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/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9-,27-17+,28-18+,29-23+,30-24+
InChI KeyNXJJBCPAGHGVJC-LIKFLUFESA-N