BioLiP

PDB

BioLiP

PDB CCD ID:

APG

Number of entries in BioLiP:

Chemical formula:

C9 H10 O3

InChI:

InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1

InChIKey:

NWCHELUCVWSRRS-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(c1ccccc1)(C(=O)O)O
ACDLabs 10.04	O=C(O)C(O)(c1ccccc1)C
OpenEye OEToolkits 1.5.0	C[C@](c1ccccc1)(C(=O)O)O
CACTVS 3.341	C[C](O)(C(O)=O)c1ccccc1
CACTVS 3.341	C[C@@](O)(C(O)=O)c1ccccc1

Name:

ATROLACTIC ACID (2-PHENYL-LACTIC ACID)

DrugBank:

DB07381

ZINC:

ZINC000000161958

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).