pyridoxine 5'-phosphate (CHEBI:28803)

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CHEBI:28803 - pyridoxine 5'-phosphate

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ChEBI Name	pyridoxine 5'-phosphate

ChEBI ID	CHEBI:28803

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:45202, CHEBI:8672, CHEBI:26430

Supplier Information	ZINC000001532705

Download	Molfile XML SDF

more structures >>

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28 28 0 0 0 0 999 V2000

-0.9451 -0.2798 0.0796 C 0 0 0 0 0 0 0 0 0 4 0 0

0.3331 -0.1566 -0.5401 C 0 0 0 0 0 0 0 0 0 5 0 0

-0.0738 -2.2119 -1.7089 N 0 0 0 0 0 0 0 0 0 1 0 0

0.7478 -1.1769 -1.4248 C 0 0 0 0 0 0 0 0 0 6 0 0

-1.7901 -1.3593 -0.2977 C 0 0 0 0 0 0 0 0 0 3 0 0

-1.3212 -2.3460 -1.1959 C 0 0 0 0 0 0 0 0 0 2 0 0

1.2394 1.0028 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0

1.9934 0.8375 0.7565 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.0891 -3.5260 -1.6458 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.9727 -1.4550 0.1271 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.4274 0.7148 1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.0839 1.7688 0.3852 O 0 0 0 0 0 0 0 0 0 0 0 0

3.6131 1.2377 2.4602 O 0 0 0 0 0 0 0 0 0 0 0 0

2.1677 2.9585 1.7541 O 0 0 0 0 0 0 0 0 0 0 0 0

2.9201 1.8025 1.3307 P 0 0 2 0 0 0 0 0 0 0 0 0

3.8763 2.1898 0.3213 O 0 0 0 0 0 0 0 0 0 0 0 0

1.6639 -1.1605 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0

0.6383 1.9159 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8763 1.1516 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.2351 -3.4785 -2.7262 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.0739 -3.6001 -1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.5432 -4.4390 -1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.3320 -0.8351 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.1204 0.2851 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6189 1.1276 1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.3734 2.3962 1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0

2.5719 3.7172 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0

4.3590 2.9185 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0

11 1 1 0 0 0 0

2 1 4 0 0 0 0

7 2 1 0 0 0 0

4 2 4 0 0 0 0

3 4 4 0 0 0 0

1 5 4 0 0 0 0

10 5 1 0 0 0 0

3 6 4 0 0 0 0

5 6 4 0 0 0 0

9 6 1 0 0 0 0

8 7 1 0 0 0 0

15 8 1 0 0 0 0

12 11 1 0 0 0 0

13 15 2 0 0 0 0

14 15 1 0 0 0 0

15 16 1 0 0 0 0

4 17 1 0 0 0 0

7 18 1 0 0 0 0

7 19 1 0 0 0 0

9 20 1 0 0 0 0

9 21 1 0 0 0 0

9 22 1 0 0 0 0

10 23 1 0 0 0 0

11 24 1 0 0 0 0

11 25 1 0 0 0 0

12 26 1 0 0 0 0

14 27 1 0 0 0 0

16 28 1 0 0 0 0

M END): 21 ms

reading 28 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

28 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

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Molfile expand

Formula

C8H12NO6P

Net Charge

Average Mass

249.15778

Monoisotopic Mass

249.04022

InChI

InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)

InChIKey

WHOMFKWHIQZTHY-UHFFFAOYSA-N

SMILES

Cc1ncc(COP(O)(O)=O)c(CO)c1O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). (via vitamin B6 phosphate ) water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. (via B vitamin )

Application(s):	nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. (via B vitamin )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	pyridoxine 5'-phosphate (CHEBI:28803) has functional parent pyridoxine (CHEBI:16709) pyridoxine 5'-phosphate (CHEBI:28803) has role Escherichia coli metabolite (CHEBI:76971) pyridoxine 5'-phosphate (CHEBI:28803) has role mouse metabolite (CHEBI:75771) pyridoxine 5'-phosphate (CHEBI:28803) is a vitamin B₆ phosphate (CHEBI:36970) pyridoxine 5'-phosphate (CHEBI:28803) is conjugate acid of pyridoxine 5'-phosphate(2−) (CHEBI:58589)

Incoming	pyridoxine 5'-phosphate(2−) (CHEBI:58589) is conjugate base of pyridoxine 5'-phosphate (CHEBI:28803)

IUPAC Name

[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate

Synonyms	Sources
pyridoxine 5'-(dihydrogen phosphate)	ChEBI
Pyridoxine 5'-phosphate	KEGG COMPOUND
Pyridoxine 5-phosphate	KEGG COMPOUND
Pyridoxine phosphate	KEGG COMPOUND
PYRIDOXINE-5'-PHOSPHATE	PDBeChem
Pyridoxol 5'-phosphate	KEGG COMPOUND
pyridoxol 5-phosphate	ChemIDplus
pyridoxyl-5-phosphate	ChemIDplus

Manual Xrefs	Databases
C00007505	KNApSAcK
C00627	KEGG COMPOUND
DB02209	DrugBank
PXP	PDBeChem
View more database links

Registry Numbers	Types	Sources
233737	Beilstein Registry Number	Beilstein
447-05-2	CAS Registry Number	KEGG COMPOUND

Last Modified

27 January 2016

CHEBI:28803 - pyridoxine 5'-phosphate

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