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BioLiP

PDB CCD ID: SGB
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N O5 P
InChI: InChI=1S/C7H16NO5P/c1-5(2)13-14(3,11)12-4-6(8)7(9)10/h5-6H,4,8H2,1-3H3,(H,9,10)/t6-,14-/m0/s1
InChIKey: RQYSKTURKPPJTP-MDAAJZPYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)O[P@](=O)(C)OC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)OP(=O)(C)OCC(C(=O)O)N
CACTVS 3.341CC(C)O[P@@](C)(=O)OC[C@H](N)C(O)=O
CACTVS 3.341CC(C)O[P](C)(=O)OC[CH](N)C(O)=O
ACDLabs 10.04O=P(OCC(N)C(=O)O)(OC(C)C)C
Name:O-[(S)-METHYL(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE
ZINC: ZINC000058650096
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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