Showing Metabocard for D-sedoheptulose 7-phosphate (BASm0002737)

Common NameD-sedoheptulose 7-phosphate
Descriptiontrue
Structure
Molecular FormulaC7H15O10P
Average Mass290.16100
Monoisotopic Mass290.04028
IUPAC Name{[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}phosphonic acid
Traditional Name[(2r,3s,4r,5s)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxyphosphonic acid
CAS Registry Number89927-08-02
SMILESO=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]
InChI IdentifierInChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7+/m1/s1
InChI KeyCBIDVWSRUUODHL-OVHBTUCOSA-N
CHEBI IDCHEBI:57483
HMDB IDHMDB0001068
Pathways
NameSMPDB/PathBank
pentose phosphate pathway
Glucose-6-phosphate dehydrogenase deficiency
Ribose-5-phosphate isomerase deficiency
Transaldolase deficiency
Warburg Effect
StateSolid
Water Solubility3.07e+01 g/l
logP-2.26
logS-0.98
pKa (Strongest Acidic)1.22
pKa (Strongest Basic)-3.45
Hydrogen Acceptor Count9
Hydrogen Donor Count7
Polar Surface Area177.14 Ų
Rotatable Bond Count4
Physiological Charge-2
Formal Charge0
Refractivity53.20 m³·mol⁻¹
Polarizability23.55

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