BioLiP

PDB

BioLiP

PDB CCD ID:

DUV

Number of entries in BioLiP:

Chemical formula:

C8 H10 O3

InChI:

InChI=1S/C8H10O3/c1-2-3-4-5-7(6-9)8(10)11/h1,6-7H,3-5H2,(H,10,11)/t7-/m1/s1

InChIKey:

XEBGKYCHRCIWRY-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C#CCCC[C@H](C=O)C(=O)O
CACTVS 3.385	OC(=O)[C@H](CCCC#C)C=O
CACTVS 3.385	OC(=O)[CH](CCCC#C)C=O
OpenEye OEToolkits 2.0.6	C#CCCCC(C=O)C(=O)O

Name:

(2R)-2-methanoylhept-6-ynoic 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).