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delta-staphylobilin

MNXM146354 is deprecated and here replaced by MNXM1100363
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100363 Image of MNXM1100363
referencechebi:74361
formulaC33H32N4O7
global charge-2
mol weight596.64
InChIKeyPKYGGJJSPHKEPX-SOSDAJRSSA-L
InChIInChI=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-
SMILESC=CC1=C(C(=O)C2=C(C)C(CCC(=O)[O-])=C(/C=C3\NC(=O)C(C)=C3CCC(=O)[O-])N2)NC(/C=C2\NC(=O)C(C)=C2C=C)=C1C
MNX internals
InChI (mnx)InChI=1/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)/b24-13-,26-14- Image of MNXM1100363
SMILES (mnx)[CH2:1]=[CH:7][C:19]1=[C:17]([CH3:5])[C:32]([OH:43])=[N:36]/[C:24]1=[CH:13]\[C:23]1=[C:15]([CH3:3])[C:20]([CH:8]=[CH2:2])=[C:30]([C:31]([C:29]2=[C:16]([CH3:4])[C:21]([CH2:9][CH2:11][C:27](=[O:38])[OH:39])=[C:25](/[CH:14]=[C:26]3/[C:22]([CH2:10][CH2:12][C:28](=[O:40])[OH:41])=[C:18]([CH3:6])[C:33]([OH:44])=[N:37]3)[NH:35]2)=[O:42])[NH:34]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74361
chebi:74361
PKYGGJJSPHKEPX-SOSDAJRSSA-L 		delta-staphylobilin
10-oxo-delta-bilirubin(2-)
5-oxo-delta-bilirubin(2-)

seed.compound:cpd31266
seedM:cpd31266
PKYGGJJSPHKEPX-SOSDAJRSSA-L 		5-Oxo-delta-bilirubin

kegg.compound:C20666
keggC:C20666
PKYGGJJSPHKEPX-SOSDAJRSSA-N 		5-Oxo-delta-bilirubin
delta-Staphylobilin

CHEBI:74621
chebi:74621
PKYGGJJSPHKEPX-SOSDAJRSSA-N 		5-oxo-delta-bilirubin
10-oxo-delta-bilirubin

keggC:M_C20666
seedM:M_cpd31266 		secondary/obsolete/fantasy identifier