BioLiP

PDB

BioLiP

PDB CCD ID:

SEN

Number of entries in BioLiP:

Chemical formula:

C5 H13 N2 O5 P

InChI:

InChI=1S/C5H13N2O5P/c1-7(2)13(10,11)12-3-4(6)5(8)9/h4H,3,6H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey:

HTPIRKVMFNYAHI-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(C)[P](O)(=O)OC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CN(C)P(=O)(O)OCC(C(=O)O)N
CACTVS 3.341	CN(C)[P@@](O)(=O)OC[C@H](N)C(O)=O
ACDLabs 10.04	O=P(O)(OCC(N)C(=O)O)N(C)C
OpenEye OEToolkits 1.5.0	CN(C)[P@](=O)(O)OC[C@@H](C(=O)O)N

Name:

O-[N,N-dimethylphosphoramidate]-L-serine

ZINC:

ZINC000058650550

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).