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CHEBI:15618 - (3Z)-phycoerythrobilin

ChEBI IDCHEBI:15618
ChEBI Name(3Z)-phycoerythrobilin
Stars
ASCII Name(3Z)-phycoerythrobilin
DefinitionThe (3Z)-isomer of phycoerythrobilin.
Secondary ChEBI IDsCHEBI:224, CHEBI:10896
Last Modified6 May 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H38N4O6
Net Charge0
Average Mass586.689
Monoisotopic Mass586.27913
SMILES[H][C@]1(Cc2nc(/C=C3\N=C(/C=C4\NC(=O)[C@H](C)\C4=C\C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)C(C=C)=C1C
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/h7-8,14-15,19,26,34H,2,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,27-14-,29-15-/t19-,26-/m1/s1
InChIKeyCNEWLWMGPFUJPG-RJSGNYMKSA-N
ChEBI Ontology
Outgoing Relation(s)
(3Z)-phycoerythrobilin (CHEBI:15618) is a phycoerythrobilin (CHEBI:36741)
(3Z)-phycoerythrobilin (CHEBI:15618) is conjugate acid of (3Z)-phycoerythrobilin(2−) (CHEBI:57438)
Incoming Relation(s)
(3Z)-phycoerythrobilin(2−) (CHEBI:57438) is conjugate base of (3Z)-phycoerythrobilin (CHEBI:15618)
IUPAC Name 
(3Z)-8,12-bis(2-carboxyethyl)-18-ethenyl-3-ethylidene-2,7,13,17-tetramethyl-2,3,15,16-tetrahydrobiline-1,19(21H,24H)-dione
Synonym  Source
(3Z)-PhycoerythrobilinKEGG COMPOUND
Manual XrefsDatabases
C05912KEGG COMPOUND