ChemFOnt: Showing chemical card for Sedoheptulose 7-phosphate(2-) (CFc000043166)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:46:06 UTC

Chemfont ID

CFc000043166

Molecule Identification

Common Name

Sedoheptulose 7-phosphate(2-)

Definition

Sedoheptulose 7-phosphate(2-) is also known as D-altro-Hept-2-ulose 7-phosphoric acid(2-). Sedoheptulose 7-phosphate(2-) is considered to be soluble (in water) and acidic

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
D-Sedoheptulose 7-phosphoric acid	Generator
Sedoheptulose 7-phosphate	MeSH, HMDB
Heptulose-7-phosphate	MeSH, HMDB
Sedoheptulose 7-phosphoric acid(2-)	Generator

Chemical Formula

C₇H₁₅O₁₀P

Average Molecular Weight

290.1618

Monoisotopic Molecular Weight

290.040283212

IUPAC Name

[(2,3,4,5,7-pentahydroxy-6-oxoheptyl)oxy]phosphonic acid

Traditional Name

sedoheptulose 7-phosphate

CAS Registry Number

Not Available

SMILES

OCC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O

InChI Identifier

InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)

InChI Key

JDTUMPKOJBQPKX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharide phosphates

Alternative Parents

Substituents

Heptose monosaccharide
Monosaccharide phosphate
Monoalkyl phosphate
Acyloin
Beta-hydroxy ketone
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Alpha-hydroxy ketone
Ketone
Secondary alcohol
Polyol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062754)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Pentose Phosphate Pathway (PathBank: SMP0012443)
Photosynthesis (PathBank: SMP0012089)
Calvin-Benson Cycle (PathBank: SMP0012094)

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	25.1 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-4	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.49	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	184.98 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	54.4 m³·mol⁻¹	ChemAxon
Polarizability	23.37 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0258206

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00019575

Chemspider ID

596

KEGG Compound ID

C05382

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

616

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Sedoheptulose 7-phosphate(2-) (CFc000043166)

MOL for CFc000043166 (Sedoheptulose 7-phosphate(2-))

3D MOL for CFc000043166 (Sedoheptulose 7-phosphate(2-))

3D SDF for CFc000043166 (Sedoheptulose 7-phosphate(2-))

3D-SDF for CFc000043166 (Sedoheptulose 7-phosphate(2-))

PDB for CFc000043166 (Sedoheptulose 7-phosphate(2-))

3D PDB for CFc000043166 (Sedoheptulose 7-phosphate(2-))

SMILES for CFc000043166 (Sedoheptulose 7-phosphate(2-))

INCHI for CFc000043166 (Sedoheptulose 7-phosphate(2-))

Structure for CFc000043166 (Sedoheptulose 7-phosphate(2-))

3D Structure for CFc000043166 (Sedoheptulose 7-phosphate(2-))