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beta-staphylobilin

MNXM146339 is deprecated and here replaced by MNXM1100364
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100364 Image of MNXM1100364
referencechebi:74362
formulaC33H32N4O7
global charge-2
mol weight596.64
InChIKeyULCYRFMKALIVKM-BIBXUMTPSA-L
InChIInChI=1S/C33H34N4O7/c1-7-19-16(4)29(34-24(19)13-23-15(3)20(8-2)33(44)36-23)31(42)30-17(5)21(9-11-27(38)39)25(35-30)14-26-22(10-12-28(40)41)18(6)32(43)37-26/h7-8,13-14,34-35H,1-2,9-12H2,3-6H3,(H,36,44)(H,37,43)(H,38,39)(H,40,41)/p-2/b23-13-,26-14-
SMILESC=CC1=C(/C=C2\NC(=O)C(C=C)=C2C)NC(C(=O)C2=C(C)C(CCC(=O)[O-])=C(/C=C3\NC(=O)C(C)=C3CCC(=O)[O-])N2)=C1C
MNX internals
InChI (mnx)InChI=1/C33H34N4O7/c1-7-19-16(4)29(34-24(19)13-23-15(3)20(8-2)33(44)36-23)31(42)30-17(5)21(9-11-27(38)39)25(35-30)14-26-22(10-12-28(40)41)18(6)32(43)37-26/h7-8,13-14,34-35H,1-2,9-12H2,3-6H3,(H,36,44)(H,37,43)(H,38,39)(H,40,41)/b23-13-,26-14- Image of MNXM1100364
SMILES (mnx)[CH2:1]=[CH:7][C:19]1=[C:24](/[CH:13]=[C:23]2/[C:15]([CH3:3])=[C:20]([CH:8]=[CH2:2])[C:33]([OH:44])=[N:36]2)[NH:34][C:29]([C:31]([C:30]2=[C:17]([CH3:5])[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:32]([OH:43])=[N:37]3)[NH:35]2)=[O:42])=[C:16]1[CH3:4]
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:74362
chebi:74362
ULCYRFMKALIVKM-BIBXUMTPSA-L 		beta-staphylobilin
15-oxo-beta-bilirubin(2-)

seed.compound:cpd31267
seedM:cpd31267
ULCYRFMKALIVKM-BIBXUMTPSA-L 		15-Oxo-beta-bilirubin

kegg.compound:C20667
keggC:C20667
ULCYRFMKALIVKM-BIBXUMTPSA-N 		15-Oxo-beta-bilirubin
beta-Staphylobilin

CHEBI:74622
chebi:74622
ULCYRFMKALIVKM-BIBXUMTPSA-N 		15-oxo-beta-bilirubin

keggC:M_C20667
seedM:M_cpd31267 		secondary/obsolete/fantasy identifier