CHEBI:167136 - quillate

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ChEBI Name quillate ChEBI ID CHEBI:167136 Definition A monocarboxylic acid anion that is the conjugate base of quillaic acid, resulting from the deprotonation of the carboxy group; Major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C30H45O5 Net Charge -1 Average Mass 485.686 Monoisotopic Mass 485.32725 InChI InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/p-1/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1 InChIKey MQUFAARYGOUYEV-UAWZMHPWSA-M SMILES [H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C([O-])=O ChEBI Ontology Outgoing quillate (CHEBI:167136) is a monocarboxylic acid anion (CHEBI:35757) quillate (CHEBI:167136) is conjugate base of quillaic acid (CHEBI:8710) Incoming quillaic acid (CHEBI:8710) is conjugate acid of quillate (CHEBI:167136) IUPAC Name 3β,16α-dihydroxy-23-oxoolean-12-en-28-oate Synonyms Sources quillaic acid anion ChEBI quillate UniProt Citation Type Source 17172290 PubMed citation SUBMITTER Last Modified 27 January 2021