BioLiP

PDB

BioLiP

PDB CCD ID:

0TK

Number of entries in BioLiP:

Chemical formula:

C5 H13 N2 O5 P

InChI:

InChI=1S/C5H13N2O5P/c6-3-1-2-4(7)5(8)12-13(9,10)11/h4H,1-3,6-7H2,(H2,9,10,11)/t4-/m1/s1

InChIKey:

MNDHJWIHMSHXOW-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NCCC[C@@H](N)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.6	C(CC(C(=O)OP(=O)(O)O)N)CN
CACTVS 3.370	NCCC[CH](N)C(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.6	C(C[C@H](C(=O)OP(=O)(O)O)N)CN
ACDLabs 12.01	O=P(OC(=O)C(N)CCCN)(O)O

Name:

(2R)-2,5-diaminopentanoyl dihydrogen phosphate;
phosphorylated D-ornithine

ZINC:

ZINC000098207867

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).