MHF

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Summary

Name:5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID
Formula:C20 H23 N7 O6
Formal charge:0
Molecular weight:457.44 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-({4-[(6aR)-3-amino-1-oxo-1,4,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid
OpenEye OEToolkits1.5.0(2S)-2-[[4-[(6aR,10S)-3-amino-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[3,4-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(NC(=O)c1ccc(cc1)N4CC3N(C=2C(=O)N=C(N)NC=2NC3)C4)CCC(=O)O
SMILES_CANONICALCACTVS3.341NC1=NC(=O)C2=C(NC[C@@H]3CN(CN23)c4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1
SMILESCACTVS3.341NC1=NC(=O)C2=C(NC[CH]3CN(CN23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)N1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNC4=C(N3C2)C(=O)N=C(N4)N
InChIInChI1.03InChI=1S/C20H23N7O6/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/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1
InChIKeyInChI1.03QYNUQALWYRSVHF-OLZOCXBDSA-N
170172
PDB entries from 2020-10-21