TGF

2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID


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Chemical Component Summary

Name2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID
SynonymsTRIGLU-5-FORMYL-TETRAHYDROFOLATE
Identifiers(2S)-2-[[(4S)-4-[[(4S)-4-[[4-[[(6S)-2-amino-5-methanoyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid
FormulaC30 H37 N9 O13
Molecular Weight731.667
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=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)NC[C@H]2CNC3=C(N2C=O)C(=O)NC(=N3)N
InChIInChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1
InChIKeyZLOMJLIQXBKNHU-VJANTYMQSA-N

Chemical Details

Formal Charge0
Atom Count89
Chiral Atom Count4
Bond Count91
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB02067 
NameTriglu-5-formyl-tetrahydrofolate
Groups experimental
SynonymsTriglu-5-formyl-tetrahydrofolate
Categories
  • Folic Acid and Derivatives
  • Vitamin B Complex
  • Vitamins

Drug Targets

NameTarget SequencePharmacological ActionActions
Serine hydroxymethyltransferase, cytosolicMTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLEL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6323515, 5289461, 135403827
ChEMBL CHEMBL1236268