| Number |
qtl-m0092 |
| Declustering Potential(DP) |
30 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
220.118 |
| Exact mass(Da) |
220.1179 |
| Accurate mass error(ppm) |
0.23 |
| Molecular formula |
C9H17NO5 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
220.2 |
| Product ions(Q3) |
202.1 |
| Main fragments |
202.1, 184.2, 174.2, 124.1, 99.0, 90.1 |
| Compound |
D-Pantothenic acid |
| Identification |
standard |
| class |
Vitamin |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:7916 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1727062;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
599-54-2;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
pantothenic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.;; |
| DrugBank Database Links |
DB01783;; |
| Formulae |
C9H17NO5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid;; |
| InChI |
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);; |
| InChIKey |
GHOKWGTUZJEAQD-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C00864 |
| KEGG DRUG Database Links |
D07413 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
23 Oct 2015;; |
| Mass |
219.23502;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008125616;;WO2007130886;;WO2007121545;;WO2007121193;;WO2007109230;;WO2007103687;;WO2007102957;;WO2007090113;;WO2007089745;;WO2006083130;;WO2005010160;;US2008227842;;US2008171004;;US2007269515;;US2007258918;;US2007253941;;US2007248693;;US2007248651;;US2 |
| PubChem Database Links |
8145936;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9212762;;7025609;;600836;;3788840;;2499220;;24727172;;24027187;;24023812;;22308371;;20669995;;2026685;;19212411;;182198;;10683755;;1011047;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-429581;;R-HSA-199206;;R-HSA-199203;;R-HSA-196857;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
2868;;2406;; |
| SMILES |
CC(C)(CO)C(O)C(=O)NCCC(O)=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
delta-Pantothenic acid;;delta-Pantothenate;;Vitamin B5;;Pantothenic acid;;Pantothenate;;N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alanine;;D-Pantothenic acid;;D-Pantothenate;;D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine;;D(+)-N-(2,4-Dihydroxy |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZPV8;;Q9ZN52;;Q9ZN30;;Q9ZM56;;Q9ZL12;;Q9ZKY6;;Q9ZJE4;;Q9ZHI5;;Q9ZF69;;Q9ZEP8;;Q9ZEP7;;Q9ZEL7;;Q9ZCK0;;Q9ZBR1;;Q9Z7U3;;Q9Z613;;Q9Z0K8;;Q9YE97;;Q9Y7B6;;Q9Y289;;Q9XT77;;Q9XC89;;Q9X980;;Q9X8N6;;Q9X844;;Q9X795;;Q9X713;;Q9X712;;Q9X4N0;;Q9X251;;Q9X1A7;;Q9X0G6; |
| ChEBI Image |
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