MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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7,8-dihydrofolate

	Properties	Image
MNX_ID	MNXM281
reference	chebi:57451
formula	C₁₉H₁₉N₇O₆
global charge	-2
mol weight	441.404
InChIKey	OZRNSSUDZOLUSN-LBPRGKRZSA-L
InChI	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)/p-2/t12-/m0/s1
SMILES	NC1=NC2=C(N=C(CNC3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)CN2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH:1]1=[CH:3][C:10]([NH:21][CH2:7][C:11]2=[N:23][C:14]3=[C:15]([NH:22][CH2:8]2)[NH:25][C:19](=[NH:20])[N:26]=[C:17]3[OH:30])=[CH:4][CH:2]=[C:9]1[C:16]([NH:24][C@@H:12]([CH2:5][CH2:6][C:13](=[O:27])[OH:28])[C:18](=[O:31])[OH:32])=[O:29]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	21
in models (compartimentalized)	25

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-73604 reactomeM:R-ALL-73604 CHEBI:57451 chebi:57451 OZRNSSUDZOLUSN-LBPRGKRZSA-L	7,8-dihydrofolate N-(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate dihydrofolate dianion dihydrofolate(2-)
bigg.metabolite:dhf biggM:dhf OZRNSSUDZOLUSN-LBPRGKRZSA-L	7,8-Dihydrofolate
vmhM:dhf vmhmetabolite:dhf OZRNSSUDZOLUSN-LBPRGKRZSA-L	7,8-Dihydrofolate (2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
metacyc.compound:DIHYDROFOLATE metacycM:DIHYDROFOLATE OZRNSSUDZOLUSN-LBPRGKRZSA-L	7,8-dihydrofolate monoglutamate 7,8-dihydrofolate 7,8-dihydropteroyl monoglutamate 7,8-dihydropteroylglutamate 7,8-pteroylglutamate 7,8-pteroylglutamic acid H2PteGlu H2PteGlu1 dihydrofolate
seed.compound:cpd00330 seedM:cpd00330 OZRNSSUDZOLUSN-LBPRGKRZSA-L	Dihydrofolate 7,8-Dihydrofolate 7,8-Dihydrofolic acid 7,8-Dihydropteroylglutamate 7,8-dihydrofolate 7,8-dihydrofolate monoglutamate 7,8-dihydropteroyl monoglutamate 7,8-dihydropteroylglutamate 7-8-Dihydrofolate DHF Dihydrofolic acid FH2 H2PteGlu H2PteGlu1 dhf dihydrofolate
kegg.compound:C00415 keggC:C00415 OZRNSSUDZOLUSN-LBPRGKRZSA-N	Dihydrofolate 7,8-Dihydrofolate 7,8-Dihydrofolic acid 7,8-Dihydropteroylglutamate Dihydrofolic acid
sabiork.compound:1336 sabiorkM:1336 OZRNSSUDZOLUSN-LBPRGKRZSA-N	Dihydrofolate 7,8-Dihydrofolate 7,8-Dihydrofolic acid Dihydrofolic acid H2PteGlu1
hmdb:HMDB0001056 OZRNSSUDZOLUSN-LBPRGKRZSA-N	Dihydrofolic acid (2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid 7,8-Dihydro-L-folic acid 7,8-Dihydrofolate 7,8-Dihydrofolic acid 7,8-Dihydropteroylglutamate 7,8-Dihydropteroylglutamic acid Dihydrofolate Dihydrofolate, (D)-isomer H2PteGlu H2PteGlu1 L-N-[p-[[(2-Amino-7,8-dihydro-4-hydroxy-6-pteridinyl)methyl]amino]benzoyl]-glutamic acid N-(4-(((2-Amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid N-(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid N-(7,8-Dihydropteroyl)-L-glutamate N-(7,8-Dihydropteroyl)-L-glutamic acid N-[4-[[(2-Amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid N-[4-[[(2-Amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid Vitamin b9 dihydrofolic acid
CHEBI:15633 chebi:15633 OZRNSSUDZOLUSN-LBPRGKRZSA-N	dihydrofolic acid 7,8-Dihydrofolate 7,8-Dihydrofolic acid 7,8-Dihydropteroylglutamate Dihydrofolate Dihydrofolic acid N-(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid N-(7,8-dihydropteroyl)-L-glutamic acid
hmdb:HMDB01056 chebi:12245 chebi:14150 chebi:20768 chebi:42000 chebi:4564 biggM:M_dhf keggC:M_C00415 seedM:M_cpd00330 vmhM:M_dhf	secondary/obsolete/fantasy identifier