CHEBI:16428 - 4-coumaroylshikimic acid

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ChEBI Name 4-coumaroylshikimic acid ChEBI ID CHEBI:16428 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1814, CHEBI:11980, CHEBI:20350 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H16O7 Net Charge 0 Average Mass 320.29404 Monoisotopic Mass 320.08960 InChI InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/b6-3+/t12-,13-,15-/m1/s1 InChIKey GVECSFFLZYNEBO-PDXJTRCTSA-N SMILES O[C@@H]1C=C(C[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-coumaroylshikimic acid (CHEBI:16428) has functional parent shikimic acid (CHEBI:16119) 4-coumaroylshikimic acid (CHEBI:16428) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) 4-coumaroylshikimic acid (CHEBI:16428) is a cyclohexenecarboxylic acid (CHEBI:23483) 4-coumaroylshikimic acid (CHEBI:16428) is conjugate acid of 4-coumaroylshikimate (CHEBI:57768) Incoming 4-coumaroylshikimate (CHEBI:57768) is conjugate base of 4-coumaroylshikimic acid (CHEBI:16428) IUPAC Name (3R,4R,5R)-3,4-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohex-1-ene-1-carboxylic acid Synonyms Sources 4-Coumaroylshikimate KEGG COMPOUND trans-5-O-(4-coumaroyl)shikimate ChEBI trans-5-O-(4-Coumaroyl)shikimate KEGG COMPOUND Manual Xref Database C02947 KEGG COMPOUND View more database links Last Modified 27 June 2014