| SpectraBase Spectrum ID |
CqFF8EpJtvG |
| Name |
1,3-Diaminopropane |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
10517-44-9
109-76-2
54018-94-9 |
| ChEBI ID |
15725 |
| Comments |
100 mM 1_3_diaminopropane - vendor: Sigma d23602; 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 |
C3H10N2 |
| IUPAC Name |
propane-1,3-diamine |
| InChI |
InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 |
| InChIKey |
XFNJVJPLKCPIBV-UHFFFAOYSA-N |
| KEGG Compound ID |
C00986 |
| KEGG Pathways |
PATH: map00220 Urea cycle and metabolism of amino groups
PATH: map00410 beta-Alanine metabolism |
| PubChem Compound ID |
428 |
| SMILES |
C(CN)CN |
| Source File Reference |
bmse000001 |
