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CHEBI:138228 - β-heptaprene

ChEBI IDCHEBI:138228
ChEBI Nameβ-heptaprene
Stars
ASCII Namebeta-heptaprene
DefinitionAn acyclic sesquarterpene that is 3-methylideneoctacosa-1,6,10,14,18,22,26-heptaene carrying six methyl substituents at positions 7, 11, 15, 19, 23 and 27 (the all-E geoisomer).
Last Modified30 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H56
Net Charge0
Average Mass476.833
Monoisotopic Mass476.43820
SMILESC=CC(=C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C35H56/c1-10-30(4)18-12-20-32(6)22-14-24-34(8)26-16-28-35(9)27-15-25-33(7)23-13-21-31(5)19-11-17-29(2)3/h10,17,20-21,24-25,28H,1,4,11-16,18-19,22-23,26-27H2,2-3,5-9H3/b31-21+,32-20+,33-25+,34-24+,35-28+
InChIKeyYNWDINKHLIWBQT-YDTSVZKTSA-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-heptaprene (CHEBI:138228) has functional parent trans-β-farnesene (CHEBI:10418)
β-heptaprene (CHEBI:138228) has role bacterial metabolite (CHEBI:76969)
β-heptaprene (CHEBI:138228) is a polyene (CHEBI:48121)
β-heptaprene (CHEBI:138228) is a sesquarterpene (CHEBI:64804)
IUPAC Name 
(6E,10E,14E,18E,22E)-7,11,15,19,23,27-hexamethyl-3-methylideneoctacosa-1,6,10,14,18,22,26-heptaene
UniProt Name  Source
beta-heptapreneUniProt
Manual XrefsDatabases
CPD-20443MetaCyc
Registry NumbersSources
Reaxys:28283698Reaxys
Citations