MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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Stannsoporfin (USAN/INN)
Properties
Image
Occurences in reactions
MNX_ID
MNXM161283
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
34
H
36
Cl
2
N
4
O
4
Sn
charge
0
mass
754.11356
reference
keggD:D05922
InChIKey
LLDZJTIZVZFNCM-UHEVNVKKSA-J
InChI
InChI=1S/C34H38N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);2*1H;/q;;;+4/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;;
SMILES
CCC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)[O-])C(CCC(=O)[O-])=C4C)c(C)c3CC.[Cl-].[Cl-].[H+].[H+].[Sn+4]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
kegg.drug:D05922
keggD:D05922
Stannsoporfin (USAN/INN)
Stanate (TN)
keggD:M_D05922
secondary/obsolete/fantasy identifier