DHF – dihydrofolate

Name
WID DHF View in model
Name dihydrofolate View in model
Traditional name 2-[(4-{[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate
IUPAC name 2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate
Cross references ChEBI: 15633, PubChem: 3705, CAS: 4033-27-6, ThreeDMET: B01240, KNApSAcK: C00007248, ... 4 more
 
Classification
Type vitamin_folate View in model
 
Structure
Empirical formula (pH 7.5) H19C19N7O6
SMILES (pH 7.5) NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)NC(CCC([O-])=O)C([O-])=O)=N2)N1
Charge (pH 7.5) -2
Is hydrophobic False View in model
Molecular weight (Da) 441.40 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
363.09
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 387.00
pI 4.28
logP -1.82
logD (pH 7.5) -7.90
 
Concentrations
Media composition (SP4; mM) 0.0000280 View in model
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:06:54
Last updated 2012-10-01 15:12:03