| Number |
qtl-m0115 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
310.1134 |
| Exact mass(Da) |
310.1133 |
| Accurate mass error(ppm) |
0.46 |
| Molecular formula |
C11H19NO9 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
310.4 |
| Product ions(Q3) |
136.1 |
| Main fragments |
136.1, 292.3 |
| Compound |
N-acetylneuraminic acid |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:45744 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
8134650;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
131-48-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
N-acetyl-beta-neuraminic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
N-Acetylneuraminic acid with beta configuration at the anomeric centre.;; |
| DrugBank Database Links |
|
| Formulae |
C11H19NO9;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid;; |
| InChI |
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1;; |
| InChIKey |
SQVRNKJHWKZAKO-PFQGKNLYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
23 Oct 2015;; |
| Mass |
309.26990;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
SLB;; |
| Patent Database Links |
|
| PubChem Database Links |
49693719;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8890217;;7106518;;6676147;;6301475;;6108279;;5082512;;4043964;;4008466;;3674885;;2808337;;25568069;;2438159;;24023812;;2381164;;21761941;;2070783;;19443021;;19212411;;1872812;;16624269;;15007099;;12770781;;12510390;;11787731;;11479279;;11425186;;11287396; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
[H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
beta-Sialic acid;;beta-Neu5Ac;;beta-5-Acetamido-3,5-dideoxy-delta-glycero-delta-galacto-Nonulopyranosonic acid;;beta-5-Acetamido-3,5-dideoxy-delta-glycero-delta-galacto-Nonulopyranosonate;;b-Sialic acid;;b-5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-Nonul |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
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