DHF

DIHYDROFOLIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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18 entries where DHF is found as a standalone ligand1 entries where DHF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	12

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Chemical Component Summary
Name	DIHYDROFOLIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid
Formula	C₁₉ H₂₁ N₇ O₆
Molecular Weight	443.413
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NC(=O)c1ccc(cc1)NCC2=NC=3C(=O)N=C(NC=3NC2)N)CCC(=O)O
SMILES	CACTVS	3.341	NC1=NC(=O)C2=C(NCC(=N2)CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N
Canonical SMILES	CACTVS	3.341	NC1=NC(=O)C2=C(NCC(=N2)CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N
InChI	InChI	1.03	InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1
InChIKey	InChI	1.03	OZRNSSUDZOLUSN-LBPRGKRZSA-N

Drug Info: DrugBank

DrugBank ID	DB02015
Name	Dihydrofolic Acid
Groups	experimental
Synonyms	Dihydrofolic Acid
Brand Names	EnLyte Extra-LN Biopar delta-FORTE
CAS number	4033-27-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dihydrofolate reductase	MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESI...	unknown
Putative pteridine reductase 2	MNETSHEASECPAAIITGGARRIGHSIAVRLHQQGFRVVVHYRHSEGAAQ...	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