| SpectraBase Spectrum ID |
IhQ44oHjNKc |
| Name |
Spermine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
115-04-8
71-44-3 |
| ChEBI ID |
15746 |
| Comments |
100 mM spermine - vendor: Sigma s3256; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=10.8; 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 |
C10 H26 N4 |
| IUPAC Name |
N,N'-bis(3-aminopropyl)butane-1,4-diamine |
| InChI |
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 |
| InChIKey |
PFNFFQXMRSDOHW-UHFFFAOYSA-N |
| KEGG Compound ID |
C00750 |
| KEGG Pathways |
PATH: map00220 Urea cycle and metabolism of amino groups
PATH: map00410 beta-Alanine metabolism |
| PubChem Compound ID |
1103 |
| SMILES |
C(CCNCCCN)CNCCCN |
| Source File Reference |
bmse000117 |
