BioLiP

PDB

BioLiP

PDB CCD ID:

LRK

Number of entries in BioLiP:

Chemical formula:

C11 H23 N2 O9 P

InChI:

InChI=1S/C11H23N2O9P/c12-7(11(17)18)3-1-2-4-13-8(5-14)10(16)9(15)6-22-23(19,20)21/h7-9,13-15H,1-6,12H2,(H,17,18)(H2,19,20,21)/t7-,8+,9+/m0/s1

InChIKey:

MTFNVQCMTVXWTF-DJLDLDEBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCCN[CH](CO)C(=O)[CH](O)CO[P](O)(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CCCCN[C@H](CO)C(=O)[C@H](O)CO[P](O)(O)=O)C(O)=O
ACDLabs 12.01	O=P(OCC(O)C(=O)C(NCCCCC(C(=O)O)N)CO)(O)O
OpenEye OEToolkits 1.9.2	C(CCNC(CO)C(=O)C(COP(=O)(O)O)O)CC(C(=O)O)N
OpenEye OEToolkits 1.9.2	C(CCN[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@@H](C(=O)O)N

Name:

(2S)-2-azanyl-6-[[(2R,4R)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid

ZINC:

ZINC000263620764

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).