BioLiP

PDB

BioLiP

PDB CCD ID:

E9O

Number of entries in BioLiP:

Chemical formula:

C15 H29 N O4

InChI:

InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1

InChIKey:

PFGVLKMJAGVUAN-CRWXNKLISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O
CACTVS 3.385	CCCCCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
OpenEye OEToolkits 2.0.7	CCCCCCCCCC1C(C(C(CN1)O)O)C(=O)O
OpenEye OEToolkits 2.0.7	CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O

Name:

(2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic 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).