BioLiP

PDB

BioLiP

PDB CCD ID:

B3E

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey:

XABCFXXGZPWJQP-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CC(=O)O)C(CC(=O)O)N
CACTVS 3.341	N[CH](CCC(O)=O)CC(O)=O
CACTVS 3.341	N[C@@H](CCC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0	C(CC(=O)O)[C@@H](CC(=O)O)N
ACDLabs 10.04	O=C(O)CCC(N)CC(=O)O

Name:

(3S)-3-AMINOHEXANEDIOIC ACID

ZINC:

ZINC000002042752

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).