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BioLiP

PDB CCD ID: RVX
Number of entries in BioLiP: 0
Chemical formula: C8 H18 N O5 P
InChI: InChI=1S/C8H18NO5P/c1-6(2)4-13-15(3,12)14-5-7(9)8(10)11/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t7-,15+/m0/s1
InChIKey: LKLIFUVJCVCJGG-NZFNHWASSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)CO[P](C)(=O)OC[CH](N)C(O)=O
CACTVS 3.385CC(C)CO[P@@](C)(=O)OC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)COP(=O)(OCC(C)C)C
OpenEye OEToolkits 1.9.2CC(C)COP(=O)(C)OCC(C(=O)O)N
OpenEye OEToolkits 1.9.2CC(C)CO[P@](=O)(C)OC[C@@H](C(=O)O)N
Name:O-[methyl(2-methylpropoxy)phosphoryl]-L-serine
ZINC: ZINC000098209381
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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