BioLiP

PDB

BioLiP

PDB CCD ID:

L5P

Number of entries in BioLiP:

Chemical formula:

C11 H23 N2 O9 P

InChI:

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

InChIKey:

FCAUVIWDSGPTCC-SFGNSQDASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CCNCC(=O)C(C(COP(=O)(O)O)O)O)CC(C(=O)O)N
CACTVS 3.385	N[C@@H](CCCCNCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O)C(O)=O
ACDLabs 12.01	NC(C(O)=O)CCCCNCC(=O)C(O)C(COP(O)(O)=O)O
OpenEye OEToolkits 1.7.6	C(CCNCC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CCCCNCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O

Name:

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

ZINC:

ZINC000263620404

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).