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BioLiP

PDB CCD ID: CE7
Number of entries in BioLiP: 0
Chemical formula: C4 H10 N2 O4
InChI: InChI=1S/C4H10N2O4/c5-2(1-3(6)7)4(8,9)10/h2,8-10H,1,5H2,(H2,6,7)/t2-/m0/s1
InChIKey: USGVMGIFCLHDGU-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CC(N)=O)C(O)(O)O
OpenEye OEToolkits 2.0.6C([C@@H](C(O)(O)O)N)C(=O)N
ACDLabs 12.01C(C(N)=O)C(N)C(O)(O)O
OpenEye OEToolkits 2.0.6C(C(C(O)(O)O)N)C(=O)N
CACTVS 3.385N[CH](CC(N)=O)C(O)(O)O
Name:(3S)-3-amino-4,4,4-trihydroxybutanamide
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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