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CHEBI:83043 - 4,4'-diapolycopenedioic acid

ChEBI IDCHEBI:83043
ChEBI Name4,4'-diapolycopenedioic acid
Stars
DefinitionAn apo carotenoid triterpenoid that is 4,4'-diapolycopene in which two of the terminal methyl groups have been oxidised to carboxy groups.
Last Modified19 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC30H36O4
Net Charge0
Average Mass460.614
Monoisotopic Mass460.26136
SMILESCC(/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O
InChIInChI=1S/C30H36O4/c1-23(15-9-17-25(3)19-11-21-27(5)29(31)32)13-7-8-14-24(2)16-10-18-26(4)20-12-22-28(6)30(33)34/h7-22H,1-6H3,(H,31,32)(H,33,34)/b8-7+,15-9+,16-10+,19-11+,20-12+,23-13+,24-14+,25-17+,26-18+,27-21+,28-22+
InChIKeyYMOJEHLMENKTSQ-GVCQAPIFSA-N
Species of MetaboliteComponentSourceComments
Methylobacterium rhodinum (ncbitaxon:29428) - PubMed (15933032) Strain: ATCC 14821
Methylomonas sp. 16a (ncbitaxon:318114) - PubMed (15933032) Strain: ATCC PTA-2402
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'-diapolycopenedioic acid (CHEBI:83043) has parent hydride 4,4'-diapolycopene (CHEBI:62449)
4,4'-diapolycopenedioic acid (CHEBI:83043) has role bacterial metabolite (CHEBI:76969)
4,4'-diapolycopenedioic acid (CHEBI:83043) is a apo carotenoid triterpenoid (CHEBI:36783)
4,4'-diapolycopenedioic acid (CHEBI:83043) is a olefinic compound (CHEBI:78840)
4,4'-diapolycopenedioic acid (CHEBI:83043) is a α,ω-dicarboxylic acid (CHEBI:28383)
4,4'-diapolycopenedioic acid (CHEBI:83043) is conjugate acid of 4,4'-diapolycopenedioate (CHEBI:79063)
Incoming Relation(s)
4,4'-diapolycopenedioate (CHEBI:79063) is conjugate base of 4,4'-diapolycopenedioic acid (CHEBI:83043)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedioic acid
Manual XrefsDatabases
CPD-13151MetaCyc
Registry NumbersSources
Reaxys:22781659Reaxys
Citations