BioLiP

PDB

BioLiP

PDB CCD ID:

ZDR

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 O4

InChI:

InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8+/m0/s1

InChIKey:

TVZGBXIJPFGQBJ-YLWLKBPMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C](N)(CCC[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.5	CC(CCCC(C(=O)O)N)(C(=O)O)N
CACTVS 3.385	C[C@@](N)(CCC[C@H](N)C(O)=O)C(O)=O
ACDLabs 10.04	O=C(O)C(N)(CCCC(N)C(=O)O)C
OpenEye OEToolkits 1.7.5	C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N

Name:

(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC 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).