BioLiP

PDB

BioLiP

PDB CCD ID:

1TX

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O4

InChI:

InChI=1S/C8H15NO4/c1-13-7(10)5-3-2-4-6(9)8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1

InChIKey:

JDVRHBSRVFYFOR-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COC(=O)CCCC[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(OC)CCCCC(C(=O)O)N
CACTVS 3.370	COC(=O)CCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6	COC(=O)CCCCC(C(=O)O)N
CACTVS 3.370	COC(=O)CCCC[CH](N)C(O)=O

Name:

(2S)-2-amino-7-methoxy-7-oxoheptanoic acid

ZINC:

ZINC000013352245

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).