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BioLiP

PDB CCD ID: TIS
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O5
InChI: InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
InChIKey: DALCJGCDZOPHKZ-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(O)(O)OCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)COC(O)(O)C
CACTVS 3.341CC(O)(O)OC[C@H](N)C(O)=O
CACTVS 3.341CC(O)(O)OC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(O)(O)OC[C@@H](C(=O)O)N
Name:O-(1,1-dihydroxyethyl)-L-serine
ZINC: ZINC000058638475
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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