| SpectraBase Spectrum ID |
4jhbt85Q7gr |
| Name |
D-Citrulline |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
13594-51-9 |
| Comments |
100 mM D-Citrulline - vendor: Fluka 1191585; 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 |
C6H13N3O3 |
| IUPAC Name |
2-amino-5-(aminocarbonylamino)pentanoic acid; 2-amino-5-(carbamoylamino)pentanoic acid; 2-amino-5-ureido-pentanoic acid |
| InChI |
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1 |
| InChIKey |
RHGKLRLOHDJJDR-SCSAIBSYSA-N |
| PubChem Compound ID |
833 |
| SMILES |
C(CC(C(=O)O)N)CNC(=O)N |
| Source File Reference |
bmse000209 |
