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• Name ^help_outline (E)-caffeoyl-CoA Identifier CHEBI:87136 Charge -4 Formula C30H38N7O19P3S InChIKey^help_outline QHRGJMIMHCLHRG-ZSELIEHESA-J SMILES^help_outline CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccc(O)c(O)c1 2D coordinates Mol file for the small molecule Search links Involved in 15 reaction(s) Find molecules that contain or resemble this structure Find proteins in UniProtKB for this molecule
• Name ^help_outline D-threo-isocitrate Identifier CHEBI:15562 Charge -3 Formula C6H5O7 InChIKey^help_outline ODBLHEXUDAPZAU-ZAFYKAAXSA-K SMILES^help_outline O[C@H]([C@H](CC([O-])=O)C([O-])=O)C([O-])=O 2D coordinates Mol file for the small molecule Search links Involved in 9 reaction(s) Find molecules that contain or resemble this structure Find proteins in UniProtKB for this molecule
• Name ^help_outline 2-[(E)-caffeoyl]-D-threo-isocitrate(3−) Identifier CHEBI:153067 Charge -3 Formula C15H11O10 InChIKey^help_outline KYSQDMNDMYECNZ-GGKWECFFSA-K SMILES^help_outline [C@@H]([C@H](CC(=O)[O-])C(=O)[O-])(C(=O)[O-])OC(/C=C/C1=CC(=C(C=C1)O)O)=O 2D coordinates Mol file for the small molecule Search links Involved in 1 reaction(s) Find molecules that contain or resemble this structure Find proteins in UniProtKB for this molecule
• Name ^help_outline CoA Identifier CHEBI:57287 (Beilstein: 11604429) ^help_outline Charge -4 Formula C21H32N7O16P3S InChIKey^help_outline RGJOEKWQDUBAIZ-IBOSZNHHSA-J SMILES^help_outline CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS 2D coordinates Mol file for the small molecule Search links Involved in 1,468 reaction(s) Find molecules that contain or resemble this structure Find proteins in UniProtKB for this molecule