BioLiP

PDB

BioLiP

PDB CCD ID:

SXE

Number of entries in BioLiP:

Chemical formula:

C8 H19 N2 O5 P

InChI:

InChI=1S/C8H19N2O5P/c1-4-14-16(13,10-6(2)3)15-5-7(9)8(11)12/h6-7H,4-5,9H2,1-3H3,(H,10,13)(H,11,12)/t7-,16-/m0/s1

InChIKey:

QLERCZZJSHOCQX-GYKQLYQFSA-N

SMILES:

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

Name:

O-{(S)-ETHOXY[(1-METHYLETHYL)AMINO]PHOSPHORYL}-L-SERINE

ZINC:

ZINC000058632095

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).