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delta-staphylobilin

MNXM146354 is deprecated and here replaced by MNXM1100363
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100363

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₃₃H₃₂N₄O₇

charge

-2

mass

596.2282

reference

chebi:74361

InChIKey

PKYGGJJSPHKEPX-SOSDAJRSSA-L

InChI

InChI=1S/C33H34N4O7/c1-7-19-17(5)32(43)36-24(19)13-23-15(3)20(8-2)30(34-23)31(42)29-16(4)21(9-11-27(38)39)25(35-29)14-26-22(10-12-28(40)41)18(6)33(44)37-26/h7-8,13-14,34-35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,44)(H,38,39)(H,40,41)/p-2/b24-13-,26-14-

SMILES

C=CC1=C(C)C(=O)N/C1=C\c1[nH]c(C(=O)c2[nH]c(/C=C3\NC(=O)C(C)=C3CCC(=O)[O-])c(CCC(=O)[O-])c2C)c(C=C)c1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74361 chebi:74361	delta-staphylobilin 10-oxo-delta-bilirubin(2-) 5-oxo-delta-bilirubin(2-)
seed.compound:cpd31266 seedM:cpd31266	5-Oxo-delta-bilirubin
kegg.compound:C20666 keggC:C20666	5-Oxo-delta-bilirubin delta-Staphylobilin
CHEBI:74621 chebi:74621	5-oxo-delta-bilirubin 10-oxo-delta-bilirubin
keggC:M_C20666 seedM:M_cpd31266	secondary/obsolete/fantasy identifier