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BioLiP

PDB CCD ID: PY0
Number of entries in BioLiP: 10
Chemical formula: C3 H8 N O3
InChI: InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1
InChIKey: ISJWJWXATCJUBY-STHAYSLISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(C(N)(O)[O-])O
CACTVS 3.352C[CH](O)[C](N)(O)[O-]
OpenEye OEToolkits 1.6.1C[C@@H]([C@@](N)(O)[O-])O
ACDLabs 10.04[O-]C(O)(N)C(O)C
CACTVS 3.352C[C@H](O)[C@@](N)(O)[O-]
Name:(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
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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