Chemical Components in the PDB

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API : Summary

Code

API

One-letter code

K

Molecule name

2,6-DIAMINOPIMELIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,6S)-2,6-diaminoheptanedioic acid
OpenEye OEToolkits 1.7.2 (2S,6R)-2,6-bis(azanyl)heptanedioic acid

Formula

C7 H14 N2 O4

Formal charge

0

Molecular weight

190.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)CCCC(C(=O)O)N
SMILES CACTVS 3.370 N[CH](CCC[CH](N)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 C(CC(C(=O)O)N)CC(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+

IUPAC InChI key

GMKMEZVLHJARHF-SYDPRGILSA-N

Is part of

MHI
API

wwPDB Information

Atom count

27 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

1999-07-08

Last modified at

2011-09-05

Status

Released

Obsoleted

Not Assigned