Y3P
(~{Z})-2-oxidanylbut-2-enedioic acid
Created: | 2021-02-01 |
Last modified: | 2021-02-17 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 13 |
Chiral Atom Count | 0 |
Bond Count | 12 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | (~{Z})-2-oxidanylbut-2-enedioic acid |
Systematic Name (OpenEye OEToolkits) | (~{Z})-2-oxidanylbut-2-enedioic acid |
Formula | C4 H4 O5 |
Molecular Weight | 132.072 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC(=O)C=C(O)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(=C(C(=O)O)O)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)/C=C(O)/C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C(=C(/C(=O)O)\O)\C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1- |
InChIKey | InChI | 1.03 | UWYVPFMHMJIBHE-UPHRSURJSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 54675764 |
ChEBI | CHEBI:28394 |