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BioLiP

PDB CCD ID: 73C
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O3
InChI: InChI=1S/C7H15NO3/c1-2-3-4-11-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey: BVQOXKZMEATPAE-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCOC[CH](N)C(O)=O
CACTVS 3.385CCCCOC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.4CCCCOC[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.4CCCCOCC(C(=O)O)N
Name:(2~{S})-2-azanyl-3-butoxy-propanoic acid
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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