| Number |
mr1352 |
| Declustering Potential(DP) |
30 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
220.1180 |
| Exact mass(Da) |
220.1179 |
| Accurate mass error(ppm) |
0.23 |
| Molecular formula |
C9H17NO5 |
| Ionization model |
|
| Ret. Time(min) |
4.64 |
| Precursor ions(Q1) |
220.1180 |
| Product ions(Q3) |
202.1 |
| Main fragments |
202.1, 184.2, 174.2, 124.1, 99.0 |
| Compound |
D-Pantothenic acid |
| Identification |
standard |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
35.02 |
| H2 |
0.51 |
| ChEBI_ID |
CHEBI:46905 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
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| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
(R)-pantothenic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A pantothenic acid having R-configuration.;; |
| DrugBank Database Links |
DB01783;; |
| Formulae |
C9H17NO5;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| 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)/t7-/m0/s1;; |
| InChIKey |
GHOKWGTUZJEAQD-ZETCQYMHSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D07413 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
16 Jul 2015;; |
| Mass |
219.23502;; |
| MolBase Database Links |
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| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
26744198;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
5352084;;22468352;;22052867;;19959891;;17913047;;17439666;;17023940;;16042590;;15912738;;15065769;;14675432;;12664639;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
2868;;2406;; |
| SMILES |
CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O;; |
| Secondary ChEBI ID |
CHEBI:18701;;CHEBI:44679;; |
| Star |
3;; |
| Synonyms |
D-(+)-pantothenic acid;;3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid;;3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxo-butyl]amino]propanoic acid;;(+)-Pantothenic acid;; |
| 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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