BioLiP

PDB

BioLiP

PDB CCD ID:

F9D

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O2

InChI:

InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m1/s1

InChIKey:

DGYHPLMPMRKMPD-SCSAIBSYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(=O)(O)C(N)CC#C
CACTVS 3.385	N[CH](CC#C)C(O)=O
OpenEye OEToolkits 2.0.6	C#CC[C@H](C(=O)O)N
OpenEye OEToolkits 2.0.6	C#CCC(C(=O)O)N
CACTVS 3.385	N[C@H](CC#C)C(O)=O

Name:

(2R)-2-aminopent-4-ynoic acid

ChEMBL:

CHEMBL51369

ZINC:

ZINC000001584097

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).