BioLiP

PDB

BioLiP

PDB CCD ID:

JGO

Number of entries in BioLiP:

Chemical formula:

C7 H15 N3 O3

InChI:

InChI=1S/C7H15N3O3/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H2,10,11)(H,12,13)/t4-,5+/m1/s1

InChIKey:

FNJZWXAALSPDGJ-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CC(C(=O)N)N)CC(C(=O)O)N
CACTVS 3.385	N[C@H](CCC[C@H](N)C(O)=O)C(N)=O
OpenEye OEToolkits 2.0.7	C(C[C@H](C(=O)N)N)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CCC[CH](N)C(O)=O)C(N)=O

Name:

meso-2,6-diaminopimelic acid NH2;
(2S,6R)-2,6,7-tris(azanyl)-7-oxidanylidene-heptanoic acid;
(2S,6R)-2,6,7-triamino-7-oxoheptanoic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).