Showing Metabocard for D-erythrose 4-phosphate (BASm0000780)

Common NameD-erythrose 4-phosphate
DescriptionD-Erythrose 4-phosphate is a phosphorylated derivative of erythrose that serves as an important intermediate in the pentose phosphate pathway. It is also used in phenylalanine, tyrosine and tryptophan biosynthesis, and it plays a role in vitamin B6 metabolism (KEGG).
Structure
Molecular FormulaC4H9O7P
Average Mass200.08380
Monoisotopic Mass200.00859
IUPAC Name[(2R,3R)-2,3-dihydroxy-4-oxobutoxy]phosphonic acid
Traditional Name(2r,3r)-2,3-dihydroxy-4-oxobutoxyphosphonic acid
CAS Registry Number585-18-2
SMILESO=C[C@H](O)[C@H](O)COP(=O)([O-])[O-]
InChI IdentifierInChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1
InChI KeyNGHMDNPXVRFFGS-IUYQGCFVSA-N
CHEBI IDCHEBI:16897
HMDB IDHMDB0001321
Pathways
NameSMPDB/PathBank
pentose phosphate pathway
Glucose-6-phosphate dehydrogenase deficiency
Ribose-5-phosphate isomerase deficiency
Transaldolase deficiency
Warburg Effect
StateSolid
Water Solubility2.37e+01 g/l
logP-1.89
logS-0.93
pKa (Strongest Acidic)1.48
pKa (Strongest Basic)-3.57
Hydrogen Acceptor Count6
Hydrogen Donor Count4
Polar Surface Area124.29 Ų
Rotatable Bond Count5
Physiological Charge-2
Formal Charge0
Refractivity36.29 m³·mol⁻¹
Polarizability15.41

We require the use of cookies for essential features like storing your previously submitted BASys2 queries. Rejecting the usage of cookies will result in certain features being disabled. By clicking ACCEPT or continuing to use the website you are agreeing to our use of cookies.

ACCEPT