CHEBI:47957 - (3E)-phycocyanobilin

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ChEBI Name (3E)-phycocyanobilin
ChEBI ID CHEBI:47957
ChEBI ASCII Name (3E)-phycocyanobilin
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H38N4O6
Net Charge 0
Average Mass 586.67818
Monoisotopic Mass 586.279
InChI InChI=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)/b20-7+,26-13-,27-14-,29-15-/t19-/m1/s1
InChIKey XAVVMXGLKJSJDU-GQEYZBMCSA-N
SMILES CCC1=C(C)\C(NC1=O)=C\c1[nH]c(\C=C2/N=C(/C=C3NC(=O)[C@H](C)C\3=C/C)C(C)=C/2CCC(O)=O)c(CCC(O)=O)c1C
Roles Classification
Chemical Role(s): phytochrome chromophore
A chromophore that is a linear tetrapyrrolic prosthetic group covalently attached to a large soluble protein phytochrome. Light absorption by the phytochrome chromophore triggers photoconversion between two spectrally distinct forms of the photoreceptor: Pr, the red light absorbing form, and Pfr, the far-red light absorbing form.
(via phycocyanobilin )
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ChEBI Ontology
Outgoing (3E)-phycocyanobilin (CHEBI:47957) is a (2R)-phycocyanobilin (CHEBI:47955)
(3E)-phycocyanobilin (CHEBI:47957) is conjugate acid of (3E)-phycocyanobilin(2−) (CHEBI:85275)
Incoming (3E)-phycocyanobilin(2−) (CHEBI:85275) is conjugate base of (3E)-phycocyanobilin (CHEBI:47957)
IUPAC Name
(2R,3E)-8,12-bis(2-carboxyethyl)-18-ethyl-3-ethylidene-2,7,13,17-tetramethyl-2,3-dihydrobilin-1,19(21H,24H)-dione
Manual Xref Database
CPD-17222 MetaCyc
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Registry Number Type Source
20298-86-6 CAS Registry Number ChemIDplus
Last Modified
06 May 2015