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BioLiP

PDB CCD ID: 432
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O4
InChI: InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
InChIKey: HTDGDRZVMBNEMO-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCC(=O)OCC(C(=O)O)N
CACTVS 3.385CCCC(=O)OC[CH](N)C(O)=O
CACTVS 3.385CCCC(=O)OC[C@H](N)C(O)=O
ACDLabs 12.01O=C(OCC(C(=O)O)N)CCC
OpenEye OEToolkits 1.9.2CCCC(=O)OC[C@@H](C(=O)O)N
Name:O-butanoyl-L-serine
ZINC: ZINC000043131376
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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