| SpectraBase Spectrum ID |
L43i6JaF5TC |
| Name |
4-Aminobenzoic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
150-13-0
8014-65-1 |
| ChEBI ID |
30753 |
| Comments |
100 mM 4-amino-benzoic acid - vendor: Sigma a9878; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C7H7NO2 |
| IUPAC Name |
4-aminobenzoic acid |
| InChI |
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10) |
| InChIKey |
ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| KEGG Compound ID |
C00568 |
| KEGG Pathways |
PATH: map00623 2,4-Dichlorobenzoate degradation
PATH: map00790 Folate biosynthesis |
| PubChem Compound ID |
978 |
| SMILES |
C1=CC(=CC=C1C(=O)O)N |
| Source File Reference |
bmse000066 |
