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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2020-07-09 20:38:04 UTC
HMDB IDHMDB0001555
Secondary Accession Numbers
  • HMDB01555
Metabolite Identification
Common NamePyridoxamine 5'-phosphate
DescriptionPyridoxamine 5'-phosphate belongs to the class of organic compounds known as pyridoxamine 5'-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5'-position. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. Vitamin B6 is a water-soluble vitamin. The three major forms of vitamin B6 are pyridoxine (also known as pyridoxol), pyridoxal, and pyridoxamine, which are all converted in the liver to pyridoxal 5-phosphate (PLP) a cofactor in many reactions of amino acid metabolism. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen.
Structure
Data?1594327084
Synonyms
ValueSource
4'-Deoxy-4'-aminopyridoxal-5'-phosphateChEBI
Pyridoxamine 5'-(dihydrogen phosphate)ChEBI
Pyridoxamine 5'-phosphoric acidChEBI
Pyridoxamine 5-phosphateChEBI
Pyridoxamine 5-phosphoric acidChEBI
Pyridoxamine phosphateChEBI
4'-Deoxy-4'-aminopyridoxal-5'-phosphoric acidGenerator
Pyridoxamine 5'-(dihydrogen phosphoric acid)Generator
Pyridoxamine phosphoric acidGenerator
Pyridoxamine-PMeSH, HMDB
PMPHMDB
Pyridoxamine 5'-phosphateHMDB
Pyridoxamine 5’-phosphateHMDB
4’-Deoxy-4’-aminopyridoxal-5’-phosphateHMDB
4’-Deoxy-4’-aminopyridoxal-5’-phosphoric acidHMDB
Chemical FormulaC8H13N2O5P
Average Molecular Weight248.173
Monoisotopic Molecular Weight248.056208048
IUPAC Name{[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methoxy}phosphonic acid
Traditional Namepyridoxamine-5'-phosphate
CAS Registry Number529-96-4
SMILES
CC1=NC=C(COP(O)(O)=O)C(CN)=C1O
InChI Identifier
InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChI KeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyridoxamine 5'-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5'-position.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyridoxamines
Direct ParentPyridoxamine 5'-phosphates
Alternative Parents
Substituents
  • Pyridoxamine 5'-phosphate
  • Monoalkyl phosphate
  • Aralkylamine
  • Hydroxypyridine
  • Methylpyridine
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Phosphoric acid ester
  • Heteroaromatic compound
  • Azacycle
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Amine
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+MetCCS_train_pos150.930932474
[M+H]+Not Available151.075http://allccs.zhulab.cn/database/detail?ID=AllCCS00000473
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.61 g/LALOGPS
logP10(-0.99) g/LALOGPS
logP10(-2.2) g/LChemAxon
logS10(-1.6) g/LALOGPS
pKa (Strongest Acidic)1.74ChemAxon
pKa (Strongest Basic)9.91ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area125.9 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity56.64 m³·mol⁻¹ChemAxon
Polarizability22.15 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+156.70831661259
DarkChem[M-H]-154.74631661259
AllCCS[M+H]+153.97232859911
AllCCS[M-H]-149.87532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Pyridoxamine 5'-phosphateCC1=NC=C(COP(O)(O)=O)C(CN)=C1O2721.8Standard polar33892256
Pyridoxamine 5'-phosphateCC1=NC=C(COP(O)(O)=O)C(CN)=C1O2250.4Standard non polar33892256
Pyridoxamine 5'-phosphateCC1=NC=C(COP(O)(O)=O)C(CN)=C1O2357.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pyridoxamine 5'-phosphate,1TMS,isomer #1CC1=NC=C(COP(=O)(O)O)C(CN)=C1O[Si](C)(C)C2341.5Semi standard non polar33892256
Pyridoxamine 5'-phosphate,1TMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN)=C1O2390.9Semi standard non polar33892256
Pyridoxamine 5'-phosphate,1TMS,isomer #3CC1=NC=C(COP(=O)(O)O)C(CN[Si](C)(C)C)=C1O2437.5Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #1CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN)=C1O[Si](C)(C)C2385.2Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #1CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN)=C1O[Si](C)(C)C2215.9Standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #1CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN)=C1O[Si](C)(C)C3153.2Standard polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #2CC1=NC=C(COP(=O)(O)O)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C2385.2Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #2CC1=NC=C(COP(=O)(O)O)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C2353.7Standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #2CC1=NC=C(COP(=O)(O)O)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C3418.2Standard polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN)=C1O2397.5Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN)=C1O2256.6Standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN)=C1O3040.1Standard polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #4CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O2436.4Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #4CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O2331.7Standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #4CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O3154.1Standard polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #5CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O2541.5Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #5CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O2509.6Standard non polar33892256
Pyridoxamine 5'-phosphate,2TMS,isomer #5CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O3600.9Standard polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN)=C1O[Si](C)(C)C2392.0Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN)=C1O[Si](C)(C)C2256.7Standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN)=C1O[Si](C)(C)C2862.1Standard polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C2431.7Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C2365.1Standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C2891.1Standard polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #3CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C2486.7Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #3CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C2506.6Standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #3CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C3219.5Standard polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #4CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O2433.0Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #4CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O2404.3Standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #4CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O2745.8Standard polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #5CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O2542.8Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #5CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O2508.0Standard non polar33892256
Pyridoxamine 5'-phosphate,3TMS,isomer #5CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O3029.9Standard polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C2449.4Semi standard non polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C2403.5Standard non polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN[Si](C)(C)C)=C1O[Si](C)(C)C2581.6Standard polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C2523.2Semi standard non polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C2476.4Standard non polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C2798.7Standard polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O2522.1Semi standard non polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O2537.7Standard non polar33892256
Pyridoxamine 5'-phosphate,4TMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O2695.8Standard polar33892256
Pyridoxamine 5'-phosphate,5TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C2535.7Semi standard non polar33892256
Pyridoxamine 5'-phosphate,5TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C2492.5Standard non polar33892256
Pyridoxamine 5'-phosphate,5TMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CN([Si](C)(C)C)[Si](C)(C)C)=C1O[Si](C)(C)C2562.4Standard polar33892256
Pyridoxamine 5'-phosphate,1TBDMS,isomer #1CC1=NC=C(COP(=O)(O)O)C(CN)=C1O[Si](C)(C)C(C)(C)C2624.2Semi standard non polar33892256
Pyridoxamine 5'-phosphate,1TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN)=C1O2651.6Semi standard non polar33892256
Pyridoxamine 5'-phosphate,1TBDMS,isomer #3CC1=NC=C(COP(=O)(O)O)C(CN[Si](C)(C)C(C)(C)C)=C1O2709.3Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #1CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN)=C1O[Si](C)(C)C(C)(C)C2857.6Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #1CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN)=C1O[Si](C)(C)C(C)(C)C2607.8Standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #1CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN)=C1O[Si](C)(C)C(C)(C)C3283.0Standard polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C2844.1Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C2763.6Standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3504.8Standard polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN)=C1O2894.1Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN)=C1O2623.7Standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN)=C1O3165.2Standard polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #4CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O2884.8Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #4CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O2745.2Standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #4CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O3292.5Standard polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #5CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O2971.3Semi standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #5CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O2884.4Standard non polar33892256
Pyridoxamine 5'-phosphate,2TBDMS,isomer #5CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O3607.8Standard polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN)=C1O[Si](C)(C)C(C)(C)C3064.6Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN)=C1O[Si](C)(C)C(C)(C)C2732.8Standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN)=C1O[Si](C)(C)C(C)(C)C3052.4Standard polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3071.0Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C2912.5Standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3133.2Standard polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #3CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3150.2Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #3CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3046.1Standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #3CC1=NC=C(COP(=O)(O)O)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3362.1Standard polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #4CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O3103.5Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #4CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O2922.2Standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #4CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O3043.3Standard polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #5CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O3192.7Semi standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #5CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O3048.4Standard non polar33892256
Pyridoxamine 5'-phosphate,3TBDMS,isomer #5CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O3232.9Standard polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3276.9Semi standard non polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3023.2Standard non polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C2971.9Standard polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3379.7Semi standard non polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3146.5Standard non polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #2CC1=NC=C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3094.4Standard polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O3383.1Semi standard non polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O3164.2Standard non polar33892256
Pyridoxamine 5'-phosphate,4TBDMS,isomer #3CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O3037.5Standard polar33892256
Pyridoxamine 5'-phosphate,5TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3561.0Semi standard non polar33892256
Pyridoxamine 5'-phosphate,5TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3251.7Standard non polar33892256
Pyridoxamine 5'-phosphate,5TBDMS,isomer #1CC1=NC=C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3000.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pyridoxamine 5'-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9540000000-0747e0335474ec0d95632016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyridoxamine 5'-phosphate GC-MS (1 TMS) - 70eV, Positivesplash10-006t-9163000000-e2b4a252a1b0d401376f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyridoxamine 5'-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , negative-QTOFsplash10-0002-0090000000-475764d1b4ff6c463f912017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , negative-QTOFsplash10-001i-5390000000-825fef9f04e27485e8682017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , negative-QTOFsplash10-004i-9300000000-695db8e4ce16577ae4412017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , negative-QTOFsplash10-004i-9100000000-b6ae171abe36c54c40312017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , negative-QTOFsplash10-004i-9000000000-a5aaa4d9b60dc24fd8182017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , positive-QTOFsplash10-0002-0190000000-0eb0fd727d4bb1b2816f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , positive-QTOFsplash10-001i-0590000000-2003e26a12279fef54dd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , positive-QTOFsplash10-001i-1910000000-acfc81bd682a779ef9e52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , positive-QTOFsplash10-053r-3900000000-262c33692f3c3bc194a22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-QQ , positive-QTOFsplash10-004i-9500000000-7d847cf14edccf6f52942017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyridoxamine 5'-phosphate LC-ESI-IT , positive-QTOFsplash10-001i-0190000000-d1a5e6c1c22d70906b6c2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 10V, Positive-QTOFsplash10-001j-0590000000-f2e78df6839a1a6c3c532015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 20V, Positive-QTOFsplash10-0f89-0900000000-45ff9c035fa30cea77bf2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 40V, Positive-QTOFsplash10-001i-2900000000-96d22fb2e9dd035fa2e52015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 10V, Negative-QTOFsplash10-0002-9080000000-908c35d20c168506f92c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 20V, Negative-QTOFsplash10-004i-9010000000-97480b70e97796d591012015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-c77bbc411daf4c046f202015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 10V, Positive-QTOFsplash10-001j-0290000000-8ef287b4599ae8a2912d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 20V, Positive-QTOFsplash10-001i-0920000000-b0020ec751a9b36bcc172021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 40V, Positive-QTOFsplash10-001i-0900000000-7721d9affd7d73f7020f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 10V, Negative-QTOFsplash10-002b-9010000000-569274c47ce9c516ff5e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 20V, Negative-QTOFsplash10-004i-9000000000-ef724d5177083af378f02021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyridoxamine 5'-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Mitochondria
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.015 +/- 0.005 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified0.00098 +/- 0.00019 uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB02142
Phenol Explorer Compound IDNot Available
FooDB IDFDB021821
KNApSAcK IDC00007506
Chemspider ID1024
KEGG Compound IDC00647
BioCyc IDPYRIDOXAMINE-5P
BiGG ID35609
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound1053
PDB IDNot Available
ChEBI ID18335
Food Biomarker OntologyNot Available
VMH IDPYAM5P
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceKatsunishi, Masatoshi; Kondo, Osamu. Pyridoxamine-5'-phosphate. Jpn. Tokkyo Koho (1972), 2 pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available

Enzymes

General function:
Involved in pyridoxamine-phosphate oxidase activity
Specific function:
Catalyzes the oxidation of either pyridoxine 5'-phosphate (PNP) or pyridoxamine 5'-phosphate (PMP) into pyridoxal 5'-phosphate (PLP).
Gene Name:
PNPO
Uniprot ID:
Q9NVS9
Molecular weight:
29987.79
Reactions
Pyridoxamine 5'-phosphate + Water + Oxygen → Pyridoxal 5'-phosphate + Ammonia + Hydrogen peroxidedetails
General function:
Involved in pyridoxal kinase activity
Specific function:
Required for synthesis of pyridoxal-5-phosphate from vitamin B6.
Gene Name:
PDXK
Uniprot ID:
O00764
Molecular weight:
35102.105
Reactions
Adenosine triphosphate + Pyridoxamine → ADP + Pyridoxamine 5'-phosphatedetails
General function:
Involved in catalytic activity
Specific function:
Protein serine phosphatase that dephosphorylates 'Ser-3' in cofilin and probably also dephosphorylates phospho-serine residues in DSTN. Regulates cofilin-dependent actin cytoskeleton reorganization. Required for normal progress through mitosis and normal cytokinesis. Does not dephosphorylate phospho-threonines in LIMK1. Does not dephosphorylate peptides containing phospho-tyrosine. Pyridoxal phosphate phosphatase. Has some activity towards pyridoxal 5'-phosphate (PLP), pyridoxine 5'-phosphate (PMP) and pyridoxine 5'-phosphate (PNP), with a highest activity with PLP followed by PNP.
Gene Name:
PDXP
Uniprot ID:
Q96GD0
Molecular weight:
31697.735
Reactions
Pyridoxamine + Phosphate → Pyridoxamine 5'-phosphate + Waterdetails
General function:
Involved in phosphatase activity
Specific function:
Phosphatase that has high activity toward pyridoxal 5'-phosphate (PLP). Also active at much lower level toward pyrophosphate, phosphoethanolamine (PEA), phosphocholine (PCho), phospho-l-tyrosine, fructose-6-phosphate, p-nitrophenyl phosphate, and h-glycerophosphate.
Gene Name:
PHOSPHO2
Uniprot ID:
Q8TCD6
Molecular weight:
27768.72
Reactions
Pyridoxamine + Phosphate → Pyridoxamine 5'-phosphate + Waterdetails