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BioLiP Library

PDB CCD ID: BLJ
Number of entries in BioLiP: 4
Chemical formula: C5 H12 As N O4
InChI: InChI=1S/C5H12AsNO4/c1-6(10,11)3-2-4(7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey: CXTQPLOKUBDLTK-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[As](O)(=O)CC[C@H](N)C(O)=O
ACDLabs 12.01[As](CCC(C(=O)O)N)(=O)(O)C
CACTVS 3.385C[As](O)(=O)CC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6C[As](=O)(CCC(C(=O)O)N)O
OpenEye OEToolkits 2.0.6C[As](=O)(CC[C@@H](C(=O)O)N)O
Name:(2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic 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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