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BioLiP

PDB CCD ID: MIS
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)O[P@](=O)(O)OC[C@@H](C(=O)O)N
CACTVS 3.341CC(C)O[P](O)(=O)OC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)OP(=O)(O)OCC(C(=O)O)N
ACDLabs 10.04O=P(OCC(N)C(=O)O)(OC(C)C)O
CACTVS 3.341CC(C)O[P@@](O)(=O)OC[C@H](N)C(O)=O
Name:MONOISOPROPYLPHOSPHORYLSERINE
DrugBank: DB01805
ZINC: ZINC000006364759
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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