BioLiP

PDB

BioLiP

PDB CCD ID:

5AB

Number of entries in BioLiP:

Chemical formula:

C7 H17 B N O5

InChI:

InChI=1S/C7H17BNO5/c1-7(9,6(10)11)4-2-3-5-8(12,13)14/h12-14H,2-5,9H2,1H3,(H,10,11)/q-1/t7-/m0/s1

InChIKey:

QCQHNLBDTJIODE-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[C@](N)(CCCC[B-](O)(O)O)C(O)=O
OpenEye OEToolkits 1.7.2	[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O
CACTVS 3.370	C[C](N)(CCCC[B-](O)(O)O)C(O)=O
OpenEye OEToolkits 1.7.2	[B-](CCCCC(C)(C(=O)O)N)(O)(O)O
ACDLabs 12.01	O=C(O)C(N)(CCCC[B-](O)(O)O)C

Name:

[(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate

ZINC:

ZINC000198683854

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).