| Number |
qtl-m1089 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
133 |
| Product ions(Q3) |
70.1 |
| Main fragments |
|
| Compound |
D-Ornithine |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:57668 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
D-ornithinium(1+);; |
| Charge |
+1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The conjugate acid of D-ornithine having an anionic carboxy group and both amino groups protonated; major species at pH 7.3.;; |
| DrugBank Database Links |
|
| Formulae |
C5H13N2O2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2R)-2,5-diazaniumylpentanoate;; |
| InChI |
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1/t4-/m1/s1;; |
| InChIKey |
AHLPHDHHMVZTML-SCSAIBSYSA-O;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 5.4.3.5;;EC 5.1.1.12;;EC 3.5.3.10;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
01 Apr 2015;; |
| Mass |
133.16890;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
99319327;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:14893;;RHEA:12901;;RHEA:11584;; |
| SABIO-RK Database Links |
|
| SMILES |
[NH3+]CCC[C@@H]([NH3+])C([O-])=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
D-ornithinium cation;;D-ornithine;;(2R)-2,5-diammoniopentanoate;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q8KZT5;;Q04HB7;;O68007;;I0J1I6;;G1UII1;;E3PY96;;E3PY95;; |
| ChEBI Image |
 |
| |
|
