PBG
Summary
| Name: | 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID |
| Synonyms: | 2-AMINOMETHYLPYRROL-3-ACETIC ACID 4-PROPIONIC ACID PORPHOBILINOGEN; 5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROLE-3-PROPANOIC ACID |
| Formula: | C10 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 226.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCc1c(c(nc1)CN)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NCc1[nH]cc(CCC(O)=O)c1CC(O)=O |
| SMILES | CACTVS | 3.341 | NCc1[nH]cc(CCC(O)=O)c1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | QSHWIQZFGQKFMA-UHFFFAOYSA-N |
