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5-formimidoyltetrahydrofolate

MNXM741402 is deprecated and here replaced by MNXM1108550
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108550 Image of MNXM1108550
referencechebi:57456
formulaC20H22N8O6
global charge-2
mol weight470.446
InChIKeyYCWUVLPMLLBDCU-STQMWFEESA-L
InChIInChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/p-2/t12-,13-/m0/s1
SMILESN=CN1C2=C(N=C(N)NC2=O)NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C1
MNX internals
InChI (mnx)InChI=1/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/b21-9?/t12-,13-/m0/s1 Image of MNXM1108550
SMILES (mnx)[CH:1]1=[CH:3][C:11]([NH:23][CH2:7][C@H:12]2[CH2:8][NH:24][C:16]3=[C:15]([C:18]([OH:32])=[N:27][C:20](=[NH:22])[NH:26]3)[N:28]2[CH:9]=[NH:21])=[CH:4][CH:2]=[C:10]1[C:17]([NH:25][C@@H:13]([CH2:5][CH2:6][C:14](=[O:29])[OH:30])[C:19](=[O:33])[OH:34])=[O:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57456
chebi:57456
YCWUVLPMLLBDCU-STQMWFEESA-L 		5-formimidoyltetrahydrofolate
5-formimidoyltetrahydrofolate dianion
5-formimidoyltetrahydrofolate(2-)
N-[4-({[(6S)-2-amino-5-formimidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamate

sabiork.compound:1913
sabiorkM:1913
kegg.compound:C00664
keggC:C00664
YCWUVLPMLLBDCU-STQMWFEESA-N 		5-Formiminotetrahydrofolate
5-Formimidoyltetrahydrofolate

seed.compound:cpd00502
seedM:cpd00502 		5-Formiminotetrahydrofolate
5-Formimidoyltetrahydrofolate
5-formimino-THF
5-formiminotetrahydrofolate
CPD-671
n5-formimino-THF
n5-formiminotetrahydrofolate

reactome:R-ALL-70919
reactomeM:R-ALL-70919
CHEBI:15639
chebi:15639
YCWUVLPMLLBDCU-STQMWFEESA-N 		5-formimidoyltetrahydrofolic acid
(6R)-5-formiminotetrahydrofolate
5-Formimidoyltetrahydrofolate
5-Formiminotetrahydrofolate
5-formiminotetrahydrofolate
N-(5-formimidoyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid
N-[4-({[(6S)-2-amino-5-formimidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
[(6S)-5-formimidoyl-5,6,7,8-tetrahydropteroyl]glutamate

chebi:12126
chebi:18603
chebi:2056
keggC:M_C00664
seedM:M_cpd00502 		secondary/obsolete/fantasy identifier