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BioLiP Library

PDB CCD ID: PSE
Number of entries in BioLiP: 4
Chemical formula: C3 H10 N O5 P
InChI: InChI=1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m1/s1
InChIKey: WDWYJNPKBKWDBL-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(COP(=O)(O)O)N)O
ACDLabs 10.04O=P(O)(O)OCC(N)CO
OpenEye OEToolkits 1.5.0C([C@H](COP(=O)(O)O)N)O
CACTVS 3.341N[CH](CO)CO[P](O)(O)=O
CACTVS 3.341N[C@H](CO)CO[P](O)(O)=O
Name:O-PHOSPHOETHANOLAMINE
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)(download the PDF file).
  • 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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