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BioLiP Library

PDB CCD ID: TEO
Number of entries in BioLiP: 28
Chemical formula: C4 H4 O5
InChI: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h1-2,5-7H,(H,8,9)/p-2/t2-/m1/s1
InChIKey: QFBHYOKSQPPXHZ-UWTATZPHSA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5C(=C(O)[O-])C(C(=O)[O-])O
OpenEye OEToolkits 1.7.5C(=C(\O)/[O-])\[C@H](C(=O)[O-])O
CACTVS 3.385O[CH](C=C(O)[O-])C([O-])=O
ACDLabs 10.04[O-]/C(O)=C/C(O)C([O-])=O
CACTVS 3.385O[C@H](\C=C(O)\[O-])C([O-])=O
Name:MALATE LIKE INTERMEDIATE
DrugBank: DB03343
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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