Tìm theo
5-methyltetrahydrofolate
Các tên gọi khác (2) :
  • [(6S)-5-methyl-5,6,7,8-tetrahydropteroyl]glutamate
  • N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid
Thuốc Gốc
Small Molecule
CAS: 134-35-0
CTHH: C20H25N7O6
PTK: 459.4558
5-Methyltetrahydrofolate is a methylated derivate of tetrahydrofolate. It is generated by methylenetetrahydrofolate reductase from 5,10-methylenetetrahydrofolate and used to recycle homocysteine back to methionine by 5-methyltetrahydrofolate-homocysteine methyltransferases (also called methionine synthases).
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H25N7O6
Phân tử khối
459.4558
Monoisotopic mass
459.186631567
InChI
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
InChI Key
InChIKey=ZNOVTXRBGFNYRX-STQMWFEESA-N
IUPAC Name
(2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
Traditional IUPAC Name
5-methyltetrahydrofolate
SMILES
CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2
Độ hòa tan
3.32e-01 g/l
logP
-3.8
logS
-3.1
pKa (strongest acidic)
3.5
pKa (Strongest Basic)
3.54
PSA
198.48 Å2
Refractivity
126.68 m3·mol-1
Polarizability
46.56 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
12
H Bond Donor Count
7
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04789
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=444412
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505172
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00440
Wikipedia
http://en.wikipedia.org/wiki/5-Methyltetrahydrofolate
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