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BioLiP

PDB CCD ID: AVG
Number of entries in BioLiP: 1
Chemical formula: C6 H14 N2 O3
InChI: InChI=1S/C6H14N2O3/c7-2-4-11-3-1-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKey: FDDYPVBIHWFLOI-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COCCN)[C@@H](C(=O)O)N
CACTVS 3.341NCCOCC[CH](N)C(O)=O
CACTVS 3.341NCCOCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C(COCCN)C(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCOCCN
Name:2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID
DrugBank: DB02971
ZINC: ZINC000003581194
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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