BioLiP

PDB

BioLiP

PDB CCD ID:

KAH

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

InChI=1S/C6H13NO3/c1-4(7)5(8)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m1/s1

InChIKey:

LUMVYMITQCJEGS-RFZPGFLSSA-N

SMILES:

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

Name:

5-AMINO-4-HYDROXYHEXANOIC ACID;
4-KETO-5-AMINO-HEXANOIC 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).