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CHEBI:45097 - (4S,10Z,16R)-phycourobilin

ChEBI IDCHEBI:45097
ChEBI Name(4S,10Z,16R)-phycourobilin
Stars
ASCII Name(4S,10Z,16R)-phycourobilin
DefinitionA urobilin that consists of 3,18-diethyl-2,7,13,17-tetramethyl-1,4,5,15,16,19,22,24-octahydro-21H-biline-8,12-dipropanoic acid bearing two oxo substituents at positions 1 and 19 (the 4S,10Z,16R-iseomer).
Secondary ChEBI IDsCHEBI:26101, CHEBI:45091
Last Modified17 April 2012
DownloadsMolfile
FormulaC33H42N4O6
Net Charge0
Average Mass590.721
Monoisotopic Mass590.31044
SMILESCCC1=C(C)[C@@H](CC2=N/C(=C\c3nc(C[C@@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O
InChIInChI=1S/C33H42N4O6/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/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27+/m1/s1
InChIKeyKDCCOOGTVSRCHX-YYVBKQGDSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,10Z,16R)-phycourobilin (CHEBI:45097) is a urobilin (CHEBI:36378)
(4S,10Z,16R)-phycourobilin (CHEBI:45097) is conjugate acid of (4S,10Z,16R)-phycourobilin(2−) (CHEBI:189062)
Incoming Relation(s)
phycourobilin-bis-L-cysteine (CHEBI:26102) has functional parent (4S,10Z,16R)-phycourobilin (CHEBI:45097)
(4S,10Z,16R)-phycourobilin(2−) (CHEBI:189062) is conjugate base of (4S,10Z,16R)-phycourobilin (CHEBI:45097)
IUPAC Name 
(4S,10Z,16R)-3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,4,5,15,16,19,22,24-octahydro-21H-biline-8,12-dipropanoic acid
Synonym  Source
PHYCOUROBILINPDBeChem
Manual XrefsDatabases
PUBPDBeChem