BioLiP

PDB

BioLiP

PDB CCD ID:

SGB

Number of entries in BioLiP:

Chemical formula:

C7 H16 N O5 P

InChI:

InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1

InChIKey:

RQYSKTURKPPJTP-MDAAJZPYSA-N

SMILES:

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

Name:

O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE

ZINC:

ZINC000058650096

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).