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| Ligand ID | JIX |
| InChI | InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7-/m0/s1 |
| InChIKey | YASVRZWVUGJELU-NIMDSCNUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | N[C]1(CO[CH]2[CH]([CH]12)C(O)=O)C(O)=O | | CACTVS 3.385 | N[C@]1(CO[C@@H]2[C@H]([C@H]12)C(O)=O)C(O)=O | | ACDLabs 12.01 | OC(=O)C1(N)COC2C(C21)C(=O)O | | OpenEye OEToolkits 2.0.7 | C1C(C2C(C2O1)C(=O)O)(C(=O)O)N | | OpenEye OEToolkits 2.0.7 | C1[C@]([C@H]2[C@@H]([C@H]2O1)C(=O)O)(C(=O)O)N |
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| Formula | C7 H9 N O5 |
| Name | (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8tr2 Chain B Residue 1001
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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