Basic information
- Standard SMILES
Cc1ncc(COP(=O)(O)O)c(CN)c1O- InChIKey
ZMJGSOSNSPKHNH-UHFFFAOYSA-N- Molecular formula
- C8H13N2O5P
- Average molar mass
- 248.17 g/mol
- Monoisotopic mass
- 248.05620815
Overview
Pyridoxamine 5'-phosphate is a vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of methylpyridines, a vitamin B6 phosphate, a monohydroxypyridine and an aminoalkylpyridine. It is functionally related to a pyridoxamine. It is a conjugate acid of a pyridoxamine 5'-phosphate(1-).
Names & identifiers
- Preferred name
- Pyridoxamine 5'-phosphate
- IUPAC
- [4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
- English name
- Pyridoxamine-5'-phosphate
- Molecular formula
- C8H13N2O5P
- Molecular weight
- 248.17
Names & synonyms
pyridoxamine phosphate529-96-4pyridoxamine 5'-phosphatePYRIDOXAMINE-5'-PHOSPHATEPyridoxamine 5-phosphatePyridoxamine-P[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphateDTXSID3046825Q05R77UO7PCHEBI:18335PYRIDOXAMINE PHOSPHATE ANHYDROUSDTXCID1026825
Show more names
hate)phate)pyridoxaminephosphateZMJGSOSNSPKHNH-ISOYWZQTSA-NPyridoxaMine-d4-5'-phosphatePyridoxamine 5'-phosphoric acidpyridoxamine,dihydrogenphosphatePyridoxamine Phosphate - Labeled d3
(4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate{[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methoxy}phosphonic acid((4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl)methoxy)phosphonic acidRefChem:870904208-471-684878-64-8QWW7V29814Pyridoxamine phosphate [JAN]
Database identifiers
- CAS
529-96-4- PubChem CID
- 1053
- DTXSID
DTXSID3046825- ChEMBL
CHEMBL1235353、CHEMBL3989779- ChEBI
CHEBI:18335- UNII
- Q05R77UO7P
- EC Number
- 208-471-6
- Nikkaji
- J11.364F
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section150.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Boiling point
- 607.3 · 607.3±65.0 °C(Predicted)
- Density
- 1.559 · 1.559±0.06 g/cm3(Predicted)
- pka
- 8.61 · pKa 8.61(H2O t = 25 I = 0.15)(Approximate)
- form
- Solid
- color
- White to yellow
- BRN
- 233653 · 233653
- 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)
- InChIKey
- ZMJGSOSNSPKHNH-UHFFFAOYSA-N
- SMILES
- Cc1ncc(COP(O)(O)=O)c(CN)c1O
- FDA UNII
- 5 R77UO7P · Q05R77UO7P
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 79 · NA.79
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 2 · 2
- RTECS
- 4710000 · UT4710000
- F
- 3 · 3-10
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- rtecs
- UT4710000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMitochondria
Metabolite PathwaysHypophosphatasia
Applications
UsesPyridoxamine-5''-phosphate is a chromophore that plays a crucial role in the biosynthesis of deoxysugars (e.g. 2-Deoxy-2-chloro-D-glucose [D232570]). Pyridoxamine-5''-phosphate is naturally found in rat liver.
General DescriptionPyridoxamine is a derivative of vitamin B6. Pyridoxamine is a water-soluble vitamin. Vitamin B6 derivatives contain a core pyridine ring. Pyridoxaminecontains an amino methyl group at pyridine′s 4′ position.
Upstream & downstream products
Upstream raw materials
Suppliers23 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
BOC Sciences16314854226 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Aladdin Scientific[email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Additional notes
DefinitionChEBI: A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine.
Related reactions
6 records
Linked notes
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