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BioLiP

PDB CCD ID: 9VD
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O2
InChI: InChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h2-4,7H,5H2,1H3/t3-,4+/m0/s1
InChIKey: ORDNBIQZKXYGTM-IUYQGCFVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C(C=O)N)O
CACTVS 3.385C[C@H](O)[C@H](N)C=O
OpenEye OEToolkits 2.0.6CC([C@@H](C=O)N)O
ACDLabs 12.01C(=O)C(C(O)C)N
CACTVS 3.385C[CH](O)[CH](N)C=O
Name:(2S,3S)-2-amino-3-hydroxybutanal
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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