SEQ2FUN

BioLiP

PDB CCD ID: EPS
Number of entries in BioLiP: 5
Chemical formula: C10 H13 O10 P
InChI: InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/t6-,7-,8+/m1/s1
InChIKey: QUTYKIXIUDQOLK-PRJMDXOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O
CACTVS 3.341O[C@H]1[C@@H](CC(=C[C@H]1O[P](O)(O)=O)C(O)=O)OC(=C)C(O)=O
CACTVS 3.341O[CH]1[CH](CC(=C[CH]1O[P](O)(O)=O)C(O)=O)OC(=C)C(O)=O
ACDLabs 10.04O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O/C(C(=O)O)=C)C1
Name:5-[(1-CARBOXYVINYL)OXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID;
5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE
ChEMBL: CHEMBL317037
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).