CHEBI:57439 - (3Z)-phytochromobilin(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3Z)-phytochromobilin(2−)
ChEBI ID CHEBI:57439
ChEBI ASCII Name (3Z)-phytochromobilin(2-)
Definition Dicarboxylate anion of (3Z)-phytochromobilin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C33H34N4O6
Net Charge -2
Average Mass 582.658
Monoisotopic Mass 582.24893
InChI InChI=1S/C33H36N4O6/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/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b20-7-,26-13-,27-14-,28-15-/t19-/m1/s1
InChIKey DKMLMZVDTGOEGU-AIKFXVFZSA-L
SMILES C\C=C1\[C@@H](C)C(=O)N\C\1=C/C1=C(C)C(CCC([O-])=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC([O-])=O
ChEBI Ontology
Outgoing (3Z)-phytochromobilin(2−) (CHEBI:57439) is a dicarboxylic acid dianion (CHEBI:28965)
(3Z)-phytochromobilin(2−) (CHEBI:57439) is a linear tetrapyrrole anion (CHEBI:59252)
(3Z)-phytochromobilin(2−) (CHEBI:57439) is conjugate base of (3Z)-phytochromobilin (CHEBI:15619)
Incoming (3Z)-phytochromobilin (CHEBI:15619) is conjugate acid of (3Z)-phytochromobilin(2−) (CHEBI:57439)
IUPAC Name
3-(2-[(Z)-{3-(2-carboxylatoethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-ylidene}methyl]-5-{(Z)-[(3Z,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoate
Synonym Source
(3Z)-phytochromobilin UniProt
Last Modified
03 August 2020