F7C
(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid
Created: | 2020-04-06 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 14 |
Chiral Atom Count | 1 |
Bond Count | 13 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | (2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid |
Formula | C4 H4 O6 |
Molecular Weight | 148.071 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O[CH](C(O)=O)C(=O)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C(=O)C(=O)O)(C(=O)O)O |
Canonical SMILES | CACTVS | 3.385 | O[C@H](C(O)=O)C(=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | [C@H](C(=O)C(=O)O)(C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)/t1-/m0/s1 |
InChIKey | InChI | 1.03 | RMHHUKGVZFVHED-SFOWXEAESA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 24771809 |
ChEBI | CHEBI:49013 |