CHEBI:15618 - (3Z)-phycoerythrobilin

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ChEBI Name (3Z)-phycoerythrobilin
ChEBI ID CHEBI:15618
ChEBI ASCII Name (3Z)-phycoerythrobilin
Definition The (3Z)-isomer of phycoerythrobilin.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10896, CHEBI:224
Supplier Information
Download Molfile XML SDF
Formulae C33H38N4O6
C33H38N4O6
Net Charge 0
Average Mass 586.67800
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/h7-8,14-15,19,26,34H,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
InChIKey CNEWLWMGPFUJPG-RJSGNYMKSA-N
SMILES C\C=C1\[C@@H](C)C(=O)N\C\1=C/C1=N/C(=C\c2[nH]c(C[C@H]3NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)/C(CCC(O)=O)=C1C
ChEBI Ontology
Outgoing (3Z)-phycoerythrobilin (CHEBI:15618) is a phycoerythrobilin (CHEBI:36741)
(3Z)-phycoerythrobilin (CHEBI:15618) is conjugate acid of (3Z)-phycoerythrobilin(2−) (CHEBI:57438)
Incoming (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)-Phycoerythrobilin KEGG COMPOUND
Manual Xref Database
C05912 KEGG COMPOUND
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Last Modified
06 May 2015