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BioLiP

PDB CCD ID: AS2
Number of entries in BioLiP: 4
Chemical formula: C4 H7 N O3
InChI: InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m1/s1
InChIKey: HOSWPDPVFBCLSY-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C=O)C(C(=O)O)N
CACTVS 3.341N[CH](CC=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C=O)[C@H](C(=O)O)N
ACDLabs 10.04O=CCC(N)C(=O)O
CACTVS 3.341N[C@H](CC=O)C(O)=O
Name:(2R)-2-AMINO-4-OXOBUTANOIC ACID;
ASPARTATE SEMIALDEHYDE
DrugBank: DB04498
ZINC: ZINC000003870023
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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