EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:57439
ChEBI Name(3Z)-phytochromobilin(2−)
Stars
ASCII Name(3Z)-phytochromobilin(2-)
DefinitionDicarboxylate anion of (3Z)-phytochromobilin.
Last Modified3 August 2020
DownloadsMolfile
FormulaC33H34N4O6
Net Charge-2
Average Mass582.657
Monoisotopic Mass582.24893
SMILESC=CC1=C(C)/C(=C/C2=N/C(=C\c3nc(/C=C4\NC(=O)[C@H](C)\C4=C\C)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O
InChIInChI=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
InChIKeyDKMLMZVDTGOEGU-AIKFXVFZSA-L
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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
UniProt Name  Source
(3Z)-phytochromobilinUniProt