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BioLiP

PDB CCD ID: 8OQ
Number of entries in BioLiP: 0
Chemical formula: C6 H10 O6
InChI: InChI=1S/C6H10O6/c1-2-6(11,5(9)10)3(7)4(8)12-2/h2-4,7-8,11H,1H3,(H,9,10)/t2-,3+,4+,6+/m1/s1
InChIKey: PAIOZXJXGSOKFN-SYXVZTBSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@H]1[C@]([C@H]([C@H](O1)O)O)(C(=O)O)O
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[C]1(O)C(O)=O
CACTVS 3.385C[C@H]1O[C@H](O)[C@H](O)[C@]1(O)C(O)=O
OpenEye OEToolkits 2.0.6CC1C(C(C(O1)O)O)(C(=O)O)O
Name:alpha-D-aceric 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)(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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