BioLiP

PDB

BioLiP

PDB CCD ID:

V1V

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

InChI=1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1

InChIKey:

OIFGOYXLBOWNGQ-WHFBIAKZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC[C@H](N)[C@H](O)C(O)=O
ACDLabs 12.01	CCCC(N)C(O)C(O)=O
OpenEye OEToolkits 2.0.7	CCC[C@@H]([C@@H](C(=O)O)O)N
CACTVS 3.385	CCC[CH](N)[CH](O)C(O)=O
OpenEye OEToolkits 2.0.7	CCCC(C(C(=O)O)O)N

Name:

(2S,3S)-3-amino-2-hydroxyhexanoic acid

ZINC:

ZINC000035050455

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).