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CHEBI:138600 - 4,4'-diapolycopen-4-oate

Default Structure
ChEBI IDCHEBI:138600
ChEBI Name4,4'-diapolycopen-4-oate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 4,4'-diapolycopen-4-oic acid; obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified30 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H37O2
Net Charge-1
Average Mass429.624
Monoisotopic Mass429.27990
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)/p-1/b9-8+,17-10+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+
InChIKeyFUIUCBAOBOEADA-ZPZIOZIESA-M
ChEBI Ontology
Outgoing Relation(s)
4,4'-diapolycopen-4-oate (CHEBI:138600) is a monocarboxylic acid anion (CHEBI:35757)
4,4'-diapolycopen-4-oate (CHEBI:138600) is conjugate base of 4,4'-diapolycopen-4-oic acid (CHEBI:139179)
Incoming Relation(s)
4,4'-diapolycopen-4-oic acid (CHEBI:139179) is conjugate acid of 4,4'-diapolycopen-4-oate (CHEBI:138600)
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-undecaenoate
UniProt Name  Source
all-trans-4,4'-diapolycopen-4-oateUniProt
Manual XrefsDatabases
CPD-20456MetaCyc
Citations