| SpectraBase Spectrum ID |
Bulrhvtf5yX |
| Name |
L-Homocitrulline |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1190-49-4 |
| ChEBI ID |
17443 |
| Comments |
100 mM L-homocitrulline - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C7 H15 N3 O3 |
| IUPAC Name |
(2S)-2-amino-6-(carbamoylamino)hexanoic acid; (2S)-2-amino-6-ureido-hexanoic acid; (2S)-2-amino-6-ureidohexanoic acid; (2S)-2-amino-6-(aminocarbonylamino)hexanoic acid |
| InChI |
InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 |
| InChIKey |
XIGSAGMEBXLVJJ-YFKPBYRVSA-N |
| KEGG Compound ID |
C02427 |
| PubChem Compound ID |
65072 |
| SMILES |
C(CCNC(=O)N)CC(C(=O)O)N; C(CCNC(=O)N)C[C@@H](C(=O)O)N |
| Source File Reference |
bmse000442 |
