BioLiP

PDB

BioLiP

PDB CCD ID:

RVX

Number of entries in BioLiP:

Chemical formula:

C8 H18 N O5 P

InChI:

InChI=1S/C8H18NO5P/c1-6(2)4-13-15(3,12)14-5-7(9)8(10)11/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-,15+/m0/s1

InChIKey:

LKLIFUVJCVCJGG-NZFNHWASSA-N

SMILES:

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

Name:

O-[methyl(2-methylpropoxy)phosphoryl]-L-serine

ZINC:

ZINC000098209381

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).