BioLiP

PDB

BioLiP

PDB CCD ID:

HLY

Number of entries in BioLiP:

Chemical formula:

C12 H22 N2 O6

InChI:

InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12+/m0/s1

InChIKey:

AIRHRYXMAJQOFD-QPUJVOFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O)O)O
CACTVS 3.385	C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O
CACTVS 3.385	C[C@](O)(CC(O)=O)CC(=O)NCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6	CC(CC(=O)NCCCCC(C(=O)O)N)(CC(=O)O)O

Name:

(3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic 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).