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CHEBI:139179 - 4,4'-diapolycopen-4-oic acid

ChEBI IDCHEBI:139179
ChEBI Name4,4'-diapolycopen-4-oic acid
Stars
DefinitionAn apo carotenoid triterpenoid that is 4,4'-diapolycopene in which one of the terminal methyl groups has been replaced by a carboxy group.
Last Modified30 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC30H38O2
Net Charge0
Average Mass430.632
Monoisotopic Mass430.28718
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O
InChIInChI=1S/C30H38O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-23H,1-7H3,(H,31,32)/b9-8+,17-10+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+
InChIKeyFUIUCBAOBOEADA-ZPZIOZIESA-N
Species of MetaboliteComponentSourceComments
Bacillus indicus (ncbitaxon:246786) - PubMed (25326460)
Bacillus firmus (ncbitaxon:1399) - PubMed (25326460)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
4,4'-diapolycopen-4-oic acid (CHEBI:139179) has functional parent 4,4'-diapolycopene (CHEBI:62449)
4,4'-diapolycopen-4-oic acid (CHEBI:139179) has role bacterial metabolite (CHEBI:76969)
4,4'-diapolycopen-4-oic acid (CHEBI:139179) is a apo carotenoid triterpenoid (CHEBI:36783)
4,4'-diapolycopen-4-oic acid (CHEBI:139179) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
4,4'-diapolycopen-4-oic acid (CHEBI:139179) is conjugate acid of 4,4'-diapolycopen-4-oate (CHEBI:138600)
Incoming Relation(s)
4,4'-diapolycopen-4-oate (CHEBI:138600) is conjugate base of 4,4'-diapolycopen-4-oic acid (CHEBI:139179)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid
Synonym  Source
4,4'-diapolycopenoic acidChEBI
Manual XrefsDatabases
CPD-20456MetaCyc
Registry NumbersSources
Reaxys:22781655Reaxys
Citations