BioLiP

PDB

BioLiP

PDB CCD ID:

FF9

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O4

InChI:

InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1

InChIKey:

CWKRAMLJAYWANT-ZMMCGQQISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC(=NCCCCC(C(=O)O)N)C(=O)O
OpenEye OEToolkits 2.0.7	CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O
CACTVS 3.385	CCC(=NCCCC[CH](N)C(O)=O)C(O)=O
CACTVS 3.385	CCC(=NCCCC[C@H](N)C(O)=O)C(O)=O

Name:

(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic 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).