BioLiP

PDB

BioLiP

PDB CCD ID:

SVY

Number of entries in BioLiP:

Chemical formula:

C9 H20 N O6 P

InChI:

InChI=1S/C9H20NO6P/c1-6(2)15-17(13,16-7(3)4)14-5-8(10)9(11)12/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m0/s1

InChIKey:

WUATUILEIDDNJZ-QMMMGPOBSA-N

SMILES:

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

Name:

O-[BIS(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE

ZINC:

ZINC000058638653

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).