| PDB CCD ID: | 51Q |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C6 H7 N3 O4 S |
| InChI: | InChI=1S/C6H7N3O4S/c1-2(5(11)12)14-4-3(10)7-6(13)9-8-4/h2H,1H3,(H,11,12)(H2,7,9,10,13)/t2-/m0/s1 |
| InChIKey: | RHHZZMNGKMZLIA-REOHCLBHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CC(C(=O)O)SC1=NN=C(NC1=O)O | | CACTVS 3.385 | C[C@H](SC1=NN=C(O)NC1=O)C(O)=O | | CACTVS 3.385 | C[CH](SC1=NN=C(O)NC1=O)C(O)=O | | OpenEye OEToolkits 1.9.2 | C[C@@H](C(=O)O)SC1=NN=C(NC1=O)O | | ACDLabs 12.01 | OC(=O)C(SC=1C(=O)NC(O)=NN=1)C |
|
| Name: | (2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid;
TyC5-03 |
| ZINC: | ZINC000001304709 |
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