PDB CCD ID: | TYO |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H13 N O5 |
InChI: | InChI=1S/C9H13NO5/c10-8(9(12)13)6-7(3-4-11)2-1-5-15-14/h1-5,8,11,14H,6,10H2,(H,12,13)/b4-3?,5-1+,7-2+/t8-/m0/s1 |
InChIKey: | AMEKAKFJYGGFTQ-BFJUJRPPSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO | OpenEye OEToolkits 1.5.0 | C(C(C(=O)O)N)C(=CC=COO)C=CO | CACTVS 3.341 | N[CH](CC(C=CO)=CC=COO)C(O)=O | ACDLabs 10.04 | O=C(O)C(N)CC(\C=C\O)=C\C=C\OO | CACTVS 3.341 | N[C@@H](CC(/C=C/O)=C/C=C/OO)C(O)=O |
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Name: | (4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID |