BioLiP

PDB

BioLiP

PDB CCD ID:

EKE

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

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

InChIKey:

KQVZQZMTPOUJTI-UHNVWZDZSA-N

SMILES:

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

Name:

(4S,5R)-4-AMINO-5-HYDROXYHEXANOIC ACID;
EPISULFIDE METHYLGLUTAMATE

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).