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CHEBI:79064 - 4,4'-diaponeurosporenoate

ChEBI IDCHEBI:79064
ChEBI Name4,4'-diaponeurosporenoate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 4,4'-diaponeurosporenoic acid, obtained by deprotonation of the carboxy group. Major structure at pH 7.3.
Last Modified19 September 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H39O2
Net Charge-1
Average Mass431.640
Monoisotopic Mass431.29555
SMILESCC(C)=CCC/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/C30H40O2/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/h8-9,11-16,18-23H,10,17H2,1-7H3,(H,31,32)/p-1/b9-8+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+
InChIKeyNXJSQJIGCCIMAE-ORIYTCASSA-M
ChEBI Ontology
Outgoing Relation(s)
4,4'-diaponeurosporenoate (CHEBI:79064) is a monocarboxylic acid anion (CHEBI:35757)
4,4'-diaponeurosporenoate (CHEBI:79064) is conjugate base of 4,4'-diaponeurosporenoic acid (CHEBI:83048)
Incoming Relation(s)
4,4'-diaponeurosporenoic acid (CHEBI:83048) is conjugate acid of 4,4'-diaponeurosporenoate (CHEBI:79064)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate
UniProt Name  Source
4,4'-diaponeurosporenoateUniProt
Manual XrefsDatabases
CPD-9913MetaCyc
Citations