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CHEBI:138227 - β-hexaprene

ChEBI IDCHEBI:138227
ChEBI Nameβ-hexaprene
Stars
ASCII Namebeta-hexaprene
DefinitionAn acyclic triterpene that is 3-methylidenetetracosa-1,6,10,14,18,22-hexaene carrying five methyl substituents at positions 7, 11, 15, 19 and 23 (the all-E geoisomer).
Last Modified30 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H48
Net Charge0
Average Mass408.714
Monoisotopic Mass408.37560
SMILESC=CC(=C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H48/c1-9-26(4)16-11-18-28(6)20-13-22-30(8)24-14-23-29(7)21-12-19-27(5)17-10-15-25(2)3/h9,15,18-19,22-23H,1,4,10-14,16-17,20-21,24H2,2-3,5-8H3/b27-19+,28-18+,29-23+,30-22+
InChIKeyHVNMFMZGDPZXND-ICZYJQKRSA-N
Species of MetaboliteComponentSourceComments
Bacillus clausii (ncbitaxon:79880) - PubMed (25882275)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
β-hexaprene (CHEBI:138227) has functional parent trans-β-farnesene (CHEBI:10418)
β-hexaprene (CHEBI:138227) has role bacterial metabolite (CHEBI:76969)
β-hexaprene (CHEBI:138227) is a polyene (CHEBI:48121)
β-hexaprene (CHEBI:138227) is a triterpene (CHEBI:35191)
IUPAC Name 
(6E,10E,14E,18E)-7,11,15,19,23-pentamethyl-3-methylidenetetracosa-1,6,10,14,18,22-hexaene
UniProt Name  Source
beta-hexapreneUniProt
Manual XrefsDatabases
CPD-20442MetaCyc
Registry NumbersSources
Reaxys:28283699Reaxys
Citations