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BioLiP

PDB CCD ID: ALV
Number of entries in BioLiP: 0
Chemical formula: C3 H9 N O2
InChI: InChI=1S/C3H9NO2/c1-2(4)3(5)6/h2-3,5-6H,4H2,1H3/t2-/m0/s1
InChIKey: QEKPBYCXURULNE-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[C@H](N)C(O)O
OpenEye OEToolkits 1.7.0CC(C(O)O)N
CACTVS 3.370C[CH](N)C(O)O
ACDLabs 12.01OC(O)C(N)C
OpenEye OEToolkits 1.7.0C[C@@H](C(O)O)N
Name:(2S)-2-aminopropane-1,1-diol
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).
  • 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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