METTHF – 5,10-Methylenetetrahydrofolate

Name
WID METTHF View in model
Name 5,10-Methylenetetrahydrofolate View in model
Traditional name 2-[(4-{3-amino-1-oxo-4H,5H,6H,6aH,7H,9H-imidazolidino[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioic acid
IUPAC name 2-[(4-{3-amino-1-oxo-1H,4H,5H,6H,6aH,7H,8H,9H-imidazolidino[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioic acid
Cross references ChEBI: 1989, CAS: 3432-99-3, PubChem: 3443, ThreeDMET: B04640, KNApSAcK: C00007250, ... 4 more
 
Classification
Type vitamin_folate View in model
 
Structure
Empirical formula (pH 7.5) H23C20N7O6
SMILES (pH 7.5) C(C1(=CC=C(C=C1)N3(CC2(CNC4(=C(N2C3)C(N=C(N)N4)=O)))))(=O)NC(C(=O)O)CCC(O)=O
Charge (pH 7.5) -2
Is hydrophobic False View in model
Molecular weight (Da) 457.44 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
380.93
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 513.70
pI 4.73
logP -3.38
logD (pH 7.5) -7.42
 
Concentrations
Biomass composition (SP4 media, 
5% CO2, 37C; mmol gDCW‑1)
  • 0.00120612 [c]

View in model
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:07:03
Last updated 2012-10-01 15:12:22