| Number |
mr1158 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
1.61 |
| Precursor ions(Q1) |
170.1 |
| Product ions(Q3) |
134.1 |
| Main fragments |
134.1, 152.1, 124.1, 106.1 |
| Compound |
Pyridoxine |
| Identification |
standard |
| class |
Vitamine |
| Organism |
|
| Reference |
|
| CV(%) |
104.26 |
| H2 |
0.42 |
| ChEBI_ID |
CHEBI:16709 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
139854;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
65-23-6;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
pyridoxine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2.;; |
| DrugBank Database Links |
DB00165;; |
| Formulae |
C8H11NO3;; |
| Gmelin Registry Numbers |
563676;; |
| INN |
|
| IUPAC Names |
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;; |
| InChI |
InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3;; |
| InChIKey |
LXNHXLLTXMVWPM-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.1.3.74;;EC 2.7.1.35;;EC 2.4.1.160;;EC 1.1.99.9;;EC 1.1.3.12;;EC 1.1.1.65;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D08454 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
25 Feb 2016;; |
| Mass |
169.17788;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008124749;;WO2007133981;;WO2007109230;;WO2006020680;;WO2006016143;;WO2005097092;;WO2005090356;;WO2005077902;;WO2005063761;;WO2005049618;;WO2005047268;;WO2005023198;;WO2005016286;;WO2005010160;;WO2005005399;;US2008292649;;US2008188415;;US2007269539;;US2 |
| PubChem Database Links |
8144938;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
6801073;;6624427;;559690;;3710434;;2885064;;24035968;;22932811;;16690736;;16277693;;15369738;;15132238;;12768081;;12640345;;11562405;;10894227;;10687314;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-964962;; |
| Rhea Database Links |
RHEA:28470;;RHEA:25112;;RHEA:25108;;RHEA:20177;;RHEA:16129;;RHEA:15033;;RHEA:14497;; |
| SABIO-RK Database Links |
729;;1965;;1963;;13194;; |
| SMILES |
Cc1ncc(CO)c(CO)c1O;; |
| Secondary ChEBI ID |
CHEBI:26429;;CHEBI:14981;;CHEBI:8671;; |
| Star |
3;; |
| Synonyms |
vitamin B6;;pyridoxine;;Pyridoxolum;;Pyridoxinum;;Pyridoxin;;Piridoxina;;Piridossina;;Hydoxin;;Gravidox;;Adermine;;5-hydroxy-6-methyl-3,4-pyridinedimethanol;;4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol;;3-hydroxy-4,5-dimethylol-alpha-picoline;;3-Hydroxy- |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZPY1;;Q9ZNR6;;Q9ZJ29;;Q9ZJ28;;Q9Y617;;Q9X4H1;;Q9VAN0;;Q9UW83;;Q9UTQ1;;Q9RYX0;;Q9RX20;;Q9RQV9;;Q9RNP3;;Q9RML6;;Q9RI02;;Q9RC88;;Q9PN59;;Q9PN58;;Q9PIH3;;Q9PH84;;Q9PF39;;Q9PDP2;;Q9PB19;;Q9NVS9;;Q9LTX3;;Q9KUS1;;Q9KSU7;;Q9KQ92;;Q9KPB5;;Q9KKM4;;Q9K3V7;;Q9K1F9; |
| ChEBI Image |
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