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CHEBI:62767 - crocetin(2−)

ChEBI IDCHEBI:62767
ChEBI Namecrocetin(2−)
Stars
ASCII Namecrocetin(2-)
DefinitionA dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of crocetin. The major species at pH 7.3.
Last Modified16 September 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H22O4
Net Charge-2
Average Mass326.392
Monoisotopic Mass326.15291
SMILESCC(/C=C/C=C(\C)C(=O)[O-])=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)[O-]
InChIInChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/p-2/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+
InChIKeyPANKHBYNKQNAHN-MQQNZMFNSA-L
ChEBI Ontology
Outgoing Relation(s)
crocetin(2−) (CHEBI:62767) is a polyunsaturated dicarboxylic acid dianion (CHEBI:133492)
crocetin(2−) (CHEBI:62767) is conjugate base of crocetin (CHEBI:3918)
Incoming Relation(s)
crocetin (CHEBI:3918) is conjugate acid of crocetin(2−) (CHEBI:62767)
IUPAC Names 
(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
8,8'-diapocarotene-8,8'-dioate
Synonyms  Source
8,8'-diapocarotenedioateChEBI
8,8'-diapo-8,8'-carotenedioateChEBI
8,8'-diapo-ψ,ψ-carotenedioateChEBI
crocetin dianionChEBI
UniProt Name  Source
crocetinUniProt
Manual XrefsDatabases
CPD-8662MetaCyc
Citations