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CHEBI:85275 - (3E)-phycocyanobilin(2−)

ChEBI IDCHEBI:85275
ChEBI Name(3E)-phycocyanobilin(2−)
Stars
ASCII Name(3E)-phycocyanobilin(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (3E)-phycocyanobilin; major species at pH 7.3.
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC33H36N4O6
Net Charge-2
Average Mass584.673
Monoisotopic Mass584.26458
SMILESC/C=C1C(=C/C2=N/C(=C\c3nc(/C=C4\NC(=O)C(CC)=C4C)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)/NC(=O)[C@@H]/1C
InChIInChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,13-15,19,34H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b20-7+,26-13-,27-14-,29-15-/t19-/m1/s1
InChIKeyXAVVMXGLKJSJDU-GQEYZBMCSA-L
ChEBI Ontology
Outgoing Relation(s)
(3E)-phycocyanobilin(2−) (CHEBI:85275) is a dicarboxylic acid dianion (CHEBI:28965)
(3E)-phycocyanobilin(2−) (CHEBI:85275) is a linear tetrapyrrole anion (CHEBI:59252)
(3E)-phycocyanobilin(2−) (CHEBI:85275) is conjugate base of (3E)-phycocyanobilin (CHEBI:47957)
Incoming Relation(s)
(3E)-phycocyanobilin (CHEBI:47957) is conjugate acid of (3E)-phycocyanobilin(2−) (CHEBI:85275)
UniProt Name  Source
(2R,3E)-phycocyanobilinUniProt
Manual XrefsDatabases
CPD-17222MetaCyc
Citations