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BioLiP

PDB CCD ID: SXE
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.341CCO[P](=O)(NC(C)C)OC[CH](N)C(O)=O
CACTVS 3.341CCO[P@@](=O)(NC(C)C)OC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CCOP(=O)(NC(C)C)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CCO[P@@](=O)(NC(C)C)OC[C@@H](C(=O)O)N
ACDLabs 10.04O=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, Peter L 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).

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