BioLiP

PDB

BioLiP

PDB CCD ID:

MIS

Number of entries in BioLiP:

Chemical formula:

C6 H14 N O6 P

InChI:

InChI=1S/C6H14NO6P/c1-4(2)13-14(10,11)12-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1

InChIKey:

DALHHSOTZKMXMV-YFKPBYRVSA-N

SMILES:

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

Name:

MONOISOPROPYLPHOSPHORYLSERINE

DrugBank:

DB01805

ZINC:

ZINC000006364759

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).