BioLiP

PDB

BioLiP

PDB CCD ID:

1EC

Number of entries in BioLiP:

Chemical formula:

C9 H21 B N O6

InChI:

InChI=1S/C9H21BNO6/c11-9(8(13)14,5-3-7-12)4-1-2-6-10(15,16)17/h12,15-17H,1-7,11H2,(H,13,14)/q-1/t9-/m1/s1

InChIKey:

NLSMSWJRKXBPCL-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@](CCCO)(CCCC[B-](O)(O)O)C(O)=O
OpenEye OEToolkits 1.7.6	[B-](CCCCC(CCCO)(C(=O)O)N)(O)(O)O
OpenEye OEToolkits 1.7.6	[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O
CACTVS 3.370	N[C](CCCO)(CCCC[B-](O)(O)O)C(O)=O
ACDLabs 12.01	O=C(O)C(N)(CCCC[B-](O)(O)O)CCCO

Name:

[(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)

ZINC:

ZINC000206367461

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).