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 |