EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C12H14N2O6S |
| Net Charge | 0 |
| Average Mass | 314.319 |
| Monoisotopic Mass | 314.05726 |
| SMILES | [H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])SC([H])(c1c([H])c2c(c([H])c1[N+](=O)[O-])OC([H])([H])O2)C([H])([H])[H] |
| InChI | InChI=1S/C12H14N2O6S/c1-6(21-4-8(13)12(15)16)7-2-10-11(20-5-19-10)3-9(7)14(17)18/h2-3,6,8H,4-5,13H2,1H3,(H,15,16)/t6?,8-/m0/s1 |
| InChIKey | PEXWLXHWCRAGLS-XDKWHASVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| H-L-Cys(MDNPE)-OH (CHEBI:233121) is a organic molecular entity (CHEBI:50860) |