THF – 5,6,7,8-Tetrahydrofolate

Name
WID THF View in model
Name 5,6,7,8-Tetrahydrofolate View in model
Traditional name 2-[(4-{[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate
IUPAC name 2-[(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate
Cross references CAS: 135-16-0, ChEBI: 15635, PubChem: 3401, ThreeDMET: B04633, KNApSAcK: C00007249, ... 4 more
 
Classification
Type vitamin_folate View in model
 
Structure
Empirical formula (pH 7.5) H21C19N7O6
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) 443.41 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
369.30
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 429.70
pI 4.92
logP -4.80
logD (pH 7.5) -8.35
 
Concentrations
Biomass composition (SP4 media, 
5% CO2, 37C; mmol gDCW‑1)
  • 0.00120612 [c]

View in model
Media composition (SP4; mM) 0.000169 View in model
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:07:08
Last updated 2012-10-01 15:12:33