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BioLiP

PDB CCD ID: Y2Y
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O5
InChI: InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1
InChIKey: XBEFTDYWKMUVOR-CRCLSJGQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(=O)O)C(C(CC(=O)O)N)O
CACTVS 3.385N[CH](CC(O)=O)[CH](O)CCC(O)=O
ACDLabs 12.01NC(CC(O)=O)C(CCC(=O)O)O
OpenEye OEToolkits 2.0.7C(CC(=O)O)[C@H]([C@H](CC(=O)O)N)O
CACTVS 3.385N[C@@H](CC(O)=O)[C@H](O)CCC(O)=O
Name:(3S,4R)-3-amino-4-hydroxyheptanedioic acid
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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