SEQ2FUN

BioLiP

PDB CCD ID: SUN
Number of entries in BioLiP: 0
Chemical formula: C7 H17 N2 O5 P
InChI: InChI=1S/C7H17N2O5P/c1-4-13-15(12,9(2)3)14-5-6(8)7(10)11/h6H,4-5,8H2,1-3H3,(H,10,11)/t6-,15+/m0/s1
InChIKey: RIJCTVRGPFRGFH-WDDATRMLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOP(=O)(N(C)C)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CCO[P@](=O)(N(C)C)OC[C@@H](C(=O)O)N
CACTVS 3.341CCO[P](=O)(OC[CH](N)C(O)=O)N(C)C
CACTVS 3.341CCO[P@@](=O)(OC[C@H](N)C(O)=O)N(C)C
ACDLabs 10.04O=P(OCC)(OCC(N)C(=O)O)N(C)C
Name:O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE;
TABUN CONJUGATED SERINE
ZINC: ZINC000058649765
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).