Chemical Components in the PDB

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KFP : Summary

Code

KFP

One-letter code

K

Molecule name

N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
OpenEye OEToolkits 1.7.6 (2R)-2-azanyl-6-[(2-azanyl-4-oxidanylidene-3H-pteridin-6-yl)methylamino]hexanoic acid

Formula

C13 H19 N7 O3

Formal charge

0

Molecular weight

321.335 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2
SMILES CACTVS 3.370 N[CH](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1c(nc2c(n1)N=C(NC2=O)N)CNCCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@H](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N

IUPAC InChI

InChI=1S/C13H19N7O3/c14-8(12(22)23)3-1-2-4-16-5-7-6-17-10-9(18-7)11(21)20-13(15)19-10/h6,8,16H,1-5,14H2,(H,22,23)(H3,15,17,19,20,21)/t8-/m1/s1

IUPAC InChI key

VSWOPALBOJUOOW-MRVPVSSYSA-N
KFP

wwPDB Information

Atom count

42 (23 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2013-03-25

Last modified at

2013-04-19

Status

Released

Obsoleted

Not Assigned