BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1004
Name10-alpha-S-glutathionylmorphine
Pubchem ID5491239
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight590.65
Exact mass590.204649
Molecular formulaC27H34N4O9S
XlogP-5.5
Topological Polar Surface Area212
H-Bond Donor7
H-Bond Acceptor11
Rotational Bond Count11
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1C(C5=C2C(=C(C=C5)O)OC3C(C=C4)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1C(C5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
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