BioLiP

PDB

BioLiP

PDB CCD ID:

IZO

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O2

InChI:

InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1

InChIKey:

SCGJGNWMYSYORS-YFKPBYRVSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)CCC#C
OpenEye OEToolkits 1.6.1	C#CCCC(C(=O)O)N
OpenEye OEToolkits 1.6.1	C#CCC[C@@H](C(=O)O)N
CACTVS 3.352	N[CH](CCC#C)C(O)=O
CACTVS 3.352	N[C@@H](CCC#C)C(O)=O

Name:

(2S)-2-AMINOHEX-5-YNOIC ACID

ChEMBL:

CHEMBL4085808

ZINC:

ZINC000013352537

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).