YWF
gamma-aminobutenoic acid
Created: | 2024-01-11 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 14 |
Chiral Atom Count | 0 |
Bond Count | 13 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | gamma-aminobutenoic acid |
Synonyms | (E)-4-azanylbut-2-enoic acid |
Systematic Name (OpenEye OEToolkits) | (~{E})-4-azanylbut-2-enoic acid |
Formula | C4 H7 N O2 |
Molecular Weight | 101.104 |
Type | PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | NCC=CC(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C=CC(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | NC\C=C\C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C(/C=C/C(=O)O)N |
InChI | InChI | 1.06 | InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+ |
InChIKey | InChI | 1.06 | FMKJUUQOYOHLTF-OWOJBTEDSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL33086 |
PubChem | 5310987, 40428137 |
ChEMBL | CHEMBL33086 |