| SpectraBase Spectrum ID |
2DWTDKea5l5 |
| Name |
Creatine phosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
67-07-2
922-32-7 |
| ChEBI ID |
17287 |
| Comments |
100 mM creatine phosphate disodium salt tetrahyrdrate - vendor: Alfa Aeser A15362; 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 |
C4H10N3O5P |
| IUPAC Name |
2-[methyl-(N'-phosphonocarbamimidoyl)amino]ethanoic acid; 2-[(amino-phosphonoimino-methyl)-methyl-amino]acetic acid; 2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid |
| InChI |
InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) |
| InChIKey |
DRBBFCLWYRJSJZ-UHFFFAOYSA-N |
| KEGG Compound ID |
C02305 |
| KEGG Pathways |
PATH: map00330 Arginine and proline metabolism |
| PubChem Compound ID |
587 |
| SMILES |
CN(CC(=O)O)C(=NP(=O)(O)O)N |
| Source File Reference |
bmse000079 |
