CHEBI:68650 - 1-deoxypentalenate

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ChEBI Name 1-deoxypentalenate ChEBI ID CHEBI:68650 Definition A monocarboxylic acid anion that is the conjugate base of 1-deoxypentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX 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 C15H21O2 Net Charge -1 Average Mass 233.32600 Monoisotopic Mass 233.15470 InChI InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/p-1/t9-,10-,12+,15-/m1/s1 InChIKey DCFDRCCHOOORSB-DSKWVYQCSA-M SMILES [H][C@@]12CC(C)(C)C[C@@]11[C@H](C)CC[C@@]1([H])C(=C2)C([O-])=O ChEBI Ontology Outgoing 1-deoxypentalenate (CHEBI:68650) is a monocarboxylic acid anion (CHEBI:35757) 1-deoxypentalenate (CHEBI:68650) is conjugate base of 1-deoxypentalenic acid (CHEBI:68832) Incoming 1-deoxypentalenic acid (CHEBI:68832) is conjugate acid of 1-deoxypentalenate (CHEBI:68650) IUPAC Name (1R,3aR,5aS,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylate Synonym Source 1-deoxypentalenate UniProt Manual Xref Database CPD-13618 MetaCyc View more database links Citation Type Source 21081950 PubMed citation SUBMITTER Last Modified 16 October 2012