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

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(6R)-5,10-methenyltetrahydrofolate

	Properties	Image
MNX_ID	MNXM511
reference	chebi:57455
formula	C₂₀H₂₀N₇O₆
global charge	-1
mol weight	454.423
InChIKey	MEANFMOQMXYMCT-OLZOCXBDSA-M
InChI	InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p-1/t12-,13+/m1/s1
SMILES	NC1=NC2=C(C(=O)N1)[N+]1=CN(C3=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C3)C[C@H]1CN2

MNX internals

InChI (mnx)	InChI=1/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/t12-,13+/m1/s1
SMILES (mnx)	[CH:1]1=[CH:3][C:11]([N+:26]2=[CH:9][N:27]3[C@H:12]([CH2:7][NH:22][C:16]4=[C:15]3[C:18]([OH:31])=[N:25][C:20](=[NH:21])[NH:24]4)[CH2:8]2)=[CH:4][CH:2]=[C:10]1[C:17](=[N:23][C@@H:13]([CH2:5][CH2:6][C:14](=[O:28])[OH:29])[C:19](=[O:32])[O-:33])[OH:30]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	19

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-6801458 reactomeM:R-ALL-6801458 CHEBI:57455 chebi:57455 MEANFMOQMXYMCT-OLZOCXBDSA-M	(6R)-5,10-methenyltetrahydrofolate N-{4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl}-L-glutamate
hmdb:HMDB0062623 MEANFMOQMXYMCT-OLZOCXBDSA-M	(6R)-5,10-methenyltetrahydrofolate (6R)-5,10-Methenyltetrahydrofolic acid (6aR)-3-amino-8-(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)-1-oxo-1H,2H,5H,6H,6aH,7H,8H-10lambda5-imidazo[1,5-f]pteridin-10-ylium (6aR)-3-amino-8-(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)-1-oxo-2H,5H,6H,6aH,7H-10lambda5-imidazo[1,5-f]pteridin-10-ylium 5,10-Methenyltetrahydrofolate 5,10-Methenyltetrahydrofolic acid 5,10-Methenyltetrahydrofolic acid mono-L-glutamic acid 5,10-Methenyltetrahydropteroylglutamate Anhydroleucovorin N5,N10-Methenyl tetrahydrofolate
CHEBI:15638 chebi:15638 MEANFMOQMXYMCT-OLZOCXBDSA-O	(6R)-5,10-methenyltetrahydrofolic acid (6R)-5,10-CH(+)-H4folate 5,10-Methenyltetrahydrofolate 5,10-methenyltetrahydropteroylglutamate Anhydroleucovorin N-{4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl}-L-glutamic acid
bigg.metabolite:methf biggM:methf sabiork.compound:1338 sabiorkM:1338 kegg.compound:C00445 keggC:C00445 MEANFMOQMXYMCT-ABLWVSNPSA-O MEANFMOQMXYMCT-OLZOCXBDSA-M MEANFMOQMXYMCT-OLZOCXBDSA-O	5,10-Methenyltetrahydrofolate
vmhM:methf vmhmetabolite:methf MEANFMOQMXYMCT-OLZOCXBDSA-M	5,10-Methenyltetrahydrofolate (6aR)-8-(4-{[(1S)-1,3-dicarboxypropyl]-C-hydroxycarbonimidoyl}phenyl)-1-hydroxy-3-imino-3H,4H,5H,6H,6aH,7H-8lambda5-imidazo[1,5-f]pteridin-8-ylium
hmdb:HMDB0001354 MEANFMOQMXYMCT-OLZOCXBDSA-N	5,10-Methenyltetrahydrofolic acid (6aR)-8-(4-{[(1S)-1,3-dicarboxypropyl]-C-hydroxycarbonimidoyl}phenyl)-1-hydroxy-3-imino-3H,4H,5H,6H,6aH,7H-8lambda5-imidazo[1,5-f]pteridin-8-ylium (6aR)-8-(4-{[(1S)-1,3-dicarboxypropyl]-C-hydroxycarbonimidoyl}phenyl)-1-hydroxy-3-imino-4H,5H,6H,6aH,7H-8lambda5-imidazo[1,5-f]pteridin-8-ylium 5,10-Methenyl-THF 5,10-Methenyltetrahydrofolate 5,10-Methenyltetrahydropteroylglutamate Anhydro-leucovorin Anhydro-leucovorin a Anhydroleucovorin Anhydroleucovorin a CH-THF Methenyl-THF Methenyl-tetrahydrofolate Methenyltetrahydrofolate Methenyltetrahydrofolic acid N5,N10-Methenyl tetrahydrofolate N5-N10-CH-THF N5-N10-Methenyltetrahydrofolate
metacyc.compound:5-10-METHENYL-THF metacycM:5-10-METHENYL-THF MEANFMOQMXYMCT-OLZOCXBDSA-M	5,10-methenyltetrahydrofolate mono-L-glutamate 5,10-methenyl-H4PteGlu1 5,10-methenyl-THF mono-L-glutamate CH-THF mono-L-glutamate N5-N10-CH-THF mono-L-glutamate N5-N10-methenyltetrahydrofolate mono-L-glutamate anhydroleucovorin mono-L-glutamate methenyl-H4F mono-L-glutamate methenyl-THF mono-L-glutamate methenyl-tetrahydrofolate mono-L-glutamate
seed.compound:cpd00347 seedM:cpd00347 MEANFMOQMXYMCT-OLZOCXBDSA-M	5-10-Methenyltetrahydrofolate 5,10-Methenyltetrahydrofolate 5,10-methenyl-H4PteGlu1 5,10-methenyl-THF 5,10-methenyl-THF mono-L-glutamate 5,10-methenyltetrahydrofolate 5,10-methenyltetrahydrofolate mono-L-glutamate CH-THF CH-THF mono-L-glutamate N5-N10-CH-THF mono-L-glutamate N5-N10-methenyltetrahydrofolate mono-L-glutamate anhydroleucovorin anhydroleucovorin mono-L-glutamate methenyl-H4F methenyl-H4F mono-L-glutamate methenyl-THF methenyl-THF mono-L-glutamate methenyl-tetrahydrofolate methenyl-tetrahydrofolate mono-L-glutamate methf n5-n10-CH-THF n5-n10-methenyltetrahydrofolate
hmdb:HMDB01354 hmdb:HMDB62623 chebi:12068 chebi:12069 chebi:1987 biggM:M_methf keggC:M_C00445 seedM:M_cpd00347 vmhM:M_methf	secondary/obsolete/fantasy identifier