Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:58:42 UTC
Update Date2022-08-31 06:44:32 UTC
Metabolite IDMMDBc0018820
Metabolite Identification
Common NameNonaprene
DescriptionNonaprene belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Thus, nonaprene is considered to be an isoprenoid. Based on a literature review very few articles have been published on Nonaprene.
Structure
SynonymsNot Available
Molecular FormulaC45H64
Average Mass605.007
Monoisotopic Mass604.500802061
IUPAC Name6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,5,5-trimethyl-4-(3-methylbut-2-en-1-yl)cyclohex-1-ene
Traditional Name6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaen-1-yl]-1,5,5-trimethyl-4-(3-methylbut-2-en-1-yl)cyclohex-1-ene
CAS Registry NumberNot Available
SMILES
[H]/C(=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])C1C(C)=CCC(CC=C(C)C)C1(C)C)/C(/[H])=C(\C)/C(/[H])=C(\[H])/C(/[H])=C(\C)/C(/[H])=C(\[H])/C(/[H])=C(\C)CCC=C(C)C
InChI Identifier
InChI=1S/C45H64/c1-35(2)19-15-22-39(7)25-17-27-40(8)26-16-23-37(5)20-13-14-21-38(6)24-18-28-41(9)30-34-44-42(10)31-33-43(45(44,11)12)32-29-36(3)4/h13-14,16-21,23-31,34,43-44H,15,22,32-33H2,1-12H3/b14-13+,23-16+,24-18+,27-17+,34-30+,37-20+,38-21+,39-25+,40-26+,41-28+
InChI KeyDFDWGGSDLBSJMW-LXKGNRKPSA-N