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

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folate

	Properties	Image
MNX_ID	MNXM617
reference	chebi:62501
formula	C₁₉H₁₇N₇O₆
global charge	-2
mol weight	439.388
InChIKey	OVBPIULPVIDEAO-LBPRGKRZSA-L
InChI	InChI=1S/C19H19N7O6/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/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/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)C=N2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C19H19N7O6/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/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:10]([NH:21][CH2:7][C:11]2=[CH:8][N:22]=[C:15]3[C:14](=[N:23]2)[C:17]([OH:30])=[N:26][C:19](=[NH:20])[NH:25]3)=[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)	17

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62501 chebi:62501 OVBPIULPVIDEAO-LBPRGKRZSA-L	folate N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate(2-) folate(2-) pteroyl-L-glutamate pteroyl-L-monoglutamate pteroylglutamate
bigg.metabolite:fol biggM:fol OVBPIULPVIDEAO-LBPRGKRZSA-M	Folate
vmhM:fol vmhmetabolite:fol OVBPIULPVIDEAO-LBPRGKRZSA-M	Folate (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
seed.compound:cpd00393 seedM:cpd00393 OVBPIULPVIDEAO-LBPRGKRZSA-L	Folate FOL Folic acid Pteroylglutamic acid fol folate folic acid
kegg.compound:C00504 keggC:C00504 OVBPIULPVIDEAO-LBPRGKRZSA-N	Folate Folic acid Pteroylglutamic acid
sabiork.compound:2063 sabiorkM:2063 OVBPIULPVIDEAO-LBPRGKRZSA-N	Folate Folic acid Pteroylglutamic acid Pteroylmono-L-glutamic acid
kegg.drug:D00070 keggD:D00070 OVBPIULPVIDEAO-LBPRGKRZSA-N	Folic acid (JP18/USP/INN) Folicet (TN)
hmdb:HMDB0000121 OVBPIULPVIDEAO-LBPRGKRZSA-N	Folic acid (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid Acifolic Cytofol Dosfolat b activ Folacid Folacin Folate Folbal Folcidin Foldine Folettes Foliamin Folic acid, (D)-isomer Folic acid, (DL)-isomer Folic acid, calcium salt (1:1) Folic acid, monopotassium salt Folic acid, monosodium salt Folic acid, potassium salt Folic acid, sodium salt Folicet Folipac Folsaeure Folsan Folsaure Folsav Folvite Incafolic Liver lactobacillus casei factor Millafol N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid N-Pteroyl-L-glutamate N-Pteroyl-L-glutamic acid N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamate N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid N-[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid PGA PteGlu Pteroyl-L-glutamate Pteroyl-L-glutamic acid Pteroyl-L-monoglutamate Pteroyl-L-monoglutamic acid Pteroylglutamate Pteroylglutamic acid Pteroylmonoglutamic acid Vitamin BC Vitamin b9 Vitamin be Vitamin m b9, Vitamin folate
metacyc.compound:CPD-12826 metacycM:CPD-12826 OVBPIULPVIDEAO-LBPRGKRZSA-L	folate folic acid
reactome:R-ALL-197965 reactomeM:R-ALL-197965 reactome:R-ALL-200716 reactomeM:R-ALL-200716 CHEBI:27470 chebi:27470 OVBPIULPVIDEAO-LBPRGKRZSA-N	folic acid (2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid Acfol Folate Folicet Folsaeure N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid N-pteroyl-L-glutamic acid PGA PteGlu acide folique acido folico acidum folicum pteroyl-L-glutamic acid pteroyl-L-monoglutamic acid pteroylglutamic acid pteroylmonoglutamic acid vitamin B11 vitamin B9 vitamin Bc vitamin Be vitamin M
hmdb:HMDB00121 chebi:24075 chebi:42610 chebi:5140 chebi:569217 biggM:M_fol keggC:M_C00504 keggD:M_D00070 seedM:M_cpd00393 vmhM:M_fol	secondary/obsolete/fantasy identifier