2.0 2012-10-10 12:19:21 -0600 2015-06-03 17:26:02 -0600 ECMDB23154 M2MDB003544 5-methyltetrahydropteroyltri-L-glutamate 5-Methyltetrahydropteroyltri-L-glutamate is formed under reaction between carbonyl group of 5-Methyltetrahydropteroate and amine group on one end of three replicates of glutamate. It is involved in several pathways such as tetrahydrofolate biosynthesis and methionine biosynthesis. (2S)-2-(4S)-4-(4S)-4-4-(6S)-2-amino-5-Methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-ylmethylaminobenzoylamino-4-carboxybutanoylamino-4-carboxybutanoylaminopentanedioate (2S)-2-(4S)-4-(4S)-4-4-(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-ylmethylaminobenzoylamino-4-carboxybutanoylamino-4-carboxybutanoylaminopentanedioic acid 5-Methyltetrahydropteroyltri-L-glutamate 5-methyltetrahydropteroyltri-L-glutamic acid N-4-({(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinylmethyl}amino)benzoyl-L-g-glutamyl-L-g-glutamyl-L-glutamate N-4-({(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinylmethyl}amino)benzoyl-L-g-glutamyl-L-g-glutamyl-L-glutamic acid N-4-({(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinylmethyl}amino)benzoyl-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamate N-4-({(6S)-2-Amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinylmethyl}amino)benzoyl-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid N-4-({(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinylmethyl}amino)benzoyl-L-γ-glutamyl-L-γ-glutamyl-L-glutamate N-4-({(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinylmethyl}amino)benzoyl-L-γ-glutamyl-L-γ-glutamyl-L-glutamic acid C30H39N9O12 717.6838 717.271817757 (2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid (2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2 InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1 HVRNKDVLFAVCJF-VJANTYMQSA-N Solid logp -1.41 ALOGPS logs -3.31 ALOGPS solubility 3.54e-01 g/l ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 2.69 ChemAxon pka_strongest_basic 3.14 ChemAxon iupac (2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid ChemAxon average_mass 717.6838 ChemAxon mono_mass 717.271817757 ChemAxon smiles CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2 ChemAxon formula C30H39N9O12 ChemAxon inchi InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1 ChemAxon inchikey HVRNKDVLFAVCJF-VJANTYMQSA-N ChemAxon polar_surface_area 331.28 ChemAxon refractivity 182.86 ChemAxon polarizability 70.68 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 18 ChemAxon donor_count 11 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 759073 Specdb::CMs 759074 Specdb::CMs 759075 Specdb::CMs 759076 Specdb::CMs 759077 Specdb::CMs 759078 Specdb::CMs 759079 Specdb::CMs 759080 Specdb::CMs 759081 Specdb::CMs 759082 Specdb::CMs 759083 Specdb::CMs 759084 Specdb::CMs 759085 Specdb::CMs 759086 Specdb::CMs 759087 Specdb::CMs 759088 Specdb::CMs 759089 Specdb::CMs 759090 Specdb::CMs 759091 Specdb::CMs 759092 Specdb::CMs 759093 Specdb::CMs 759094 Specdb::CMs 759095 Specdb::CMs 759096 Specdb::CMs 759097 Specdb::NmrOneD 95658 Specdb::NmrOneD 95659 Specdb::NmrOneD 95660 Specdb::NmrOneD 95661 Specdb::NmrOneD 95662 Specdb::NmrOneD 95663 Specdb::NmrOneD 95664 Specdb::NmrOneD 95665 Specdb::NmrOneD 95666 Specdb::NmrOneD 95667 Specdb::NmrOneD 95668 Specdb::NmrOneD 95669 Specdb::NmrOneD 95670 Specdb::NmrOneD 95671 Specdb::NmrOneD 95672 Specdb::NmrOneD 95673 Specdb::NmrOneD 95674 Specdb::NmrOneD 95675 Specdb::NmrOneD 95676 Specdb::NmrOneD 95677 Specdb::MsMs 37139 Specdb::MsMs 37140 Specdb::MsMs 37141 Specdb::MsMs 39587 Specdb::MsMs 39588 Specdb::MsMs 39589 Specdb::MsMs 3048959 Specdb::MsMs 3048960 Specdb::MsMs 3048961 Specdb::MsMs 3118939 Specdb::MsMs 3118940 Specdb::MsMs 3118941 HMDB12177 16722111 C04489 17614 CPD-1302 FDB028831 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase P25665 METE_ECOLI metE http://ecmdb.ca/proteins/P25665.xml 5-methyltetrahydropteroyltri-L-glutamate + L-Homocysteine > tetrahydropteroyltri-L-glutamate + L-Methionine