| Number |
qtl-m1294 |
| 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) |
252 |
| Product ions(Q3) |
105 |
| Main fragments |
|
| Compound |
Muramic acid |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:7027 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
2334586;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
484-57-1;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The pyranose form of muramic acid.;; |
| DrugBank Database Links |
|
| Formulae |
C9H17NO7;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucopyranose;; |
| InChI |
InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m1/s1;; |
| InChIKey |
MSFSPUZXLOGKHJ-PGYHGBPZSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C06470 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Aug 2014;; |
| Mass |
251.23382;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
46530646;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
C[C@@H](O[C@@H]1[C@@H](N)C(O)O[C@H](CO)[C@H]1O)C(O)=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
Muramic acid;;3-O-alpha-Carboxyethyl-D-glucosamine;;2-Amino-3-O-D-1-carboxyethyl-2-deoxy-D-glucose;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
