| Number |
qtl-m1464 |
| 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) |
310.1 |
| Product ions(Q3) |
292.3 |
| Main fragments |
|
| Compound |
N-acetylneuraminic acid |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:17012 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
2951361;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
131-48-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
N-acetylneuraminic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An N-acylneuraminic acid where the N-acyl group is specified as acetyl.;; |
| DrugBank Database Links |
|
| Formulae |
C11H19NO9;; |
| Gmelin Registry Numbers |
|
| INN |
acido aceneuramico;;acidium aceneuramicum;;acide aceneuramique;;aceneuramic acid;; |
| IUPAC Names |
5-acetamido-3,5-dideoxy-D-glycero-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-LUWBGTNYSA-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 |
27 Jan 2016;; |
| Mass |
309.26990;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
US2008279765;;US2007269833;;US2007249524;;US2007244037;;US2007243629;;EP1891968;;EP1723951;;EP1721611;;EP1714660;;EP1712557;;EP1639994;; |
| PubChem Database Links |
8145622;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
7508418;;19329108;;18487279;;16624269;;16209099;;14960498;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-975902;;R-HSA-5624239;;R-HSA-428585;;R-HSA-4085217;;R-HSA-4085029;;R-HSA-4085020;;R-HSA-4084999;;R-HSA-4084994;;R-HSA-4084989;;R-HSA-4084982;;R-HSA-1605768;;R-HSA-1605724;;R-HSA-1605723;;R-HSA-1022133;;R-HSA-1022129;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
9695;;4738;;4312;;4296;;3283;;1891;;1890;;13773;;13772;;13771;;13770;;1376;;13669;;13643;;13642;;13641;;13640;;13639;;13525;;13423;;13422;;13144;;13120;;13119;;13118;;13117;;13116;;13115;;13086;;13085;;13050;;12677;;10358;; |
| SMILES |
[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO;; |
| Secondary ChEBI ID |
CHEBI:29087;;CHEBI:21620;;CHEBI:7214;; |
| Star |
3;; |
| Synonyms |
O-sialic acid;;NeuAc;;Aceneuramic acid;;(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid;;(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9Z1E9;;Q9Y653;;Q9Y471;;Q9Y3R4;;Q9Y3B3;;Q9Y336;;Q9Y303;;Q9Y286;;Q9Y223;;Q9XT76;;Q9WV23;;Q9WUV2;;Q9WTS8;;Q9WFX3;;Q9WCE8;;Q9WCE3;;Q9WCE1;;Q9WCD9;;Q9WCD8;;Q9WCD1;;Q9WAK5;;Q9WAK4;;Q9WAA1;;Q9W7Y7;;Q9UQ49;;Q9ULC0;;Q9UKZ9;;Q9UJ70;;Q9TV49;;Q9TV48;;Q9TV47;;Q9TV45; |
| ChEBI Image |
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