CHEBI:64221 - (3R,6S)-6-hydroxy-3,7-dimethyloctanoate

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ChEBI Name (3R,6S)-6-hydroxy-3,7-dimethyloctanoate ChEBI ID CHEBI:64221 ChEBI ASCII Name (3R,6S)-6-hydroxy-3,7-dimethyloctanoate Definition A hydroxy fatty acid anion that is the conjugate base of (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid, arising from 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 C10H19O3 Net Charge -1 Average Mass 187.25610 Monoisotopic Mass 187.13397 InChI InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)/p-1/t8-,9+/m1/s1 InChIKey IQBGVZDRJBTLDN-BDAKNGLRSA-M SMILES CC(C)[C@@H](O)CC[C@@H](C)CC([O-])=O ChEBI Ontology Outgoing (3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221) is a 6-hydroxy-3,7-dimethyloctanoate (CHEBI:64223) (3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221) is conjugate base of (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64265) Incoming (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid (CHEBI:64265) is conjugate acid of (3R,6S)-6-hydroxy-3,7-dimethyloctanoate (CHEBI:64221) IUPAC Name (3R,6S)-6-hydroxy-3,7-dimethyloctanoate Synonym Source (3R,6S)-6-hydroxy-3,7-dimethyloctanoate UniProt Citation Type Source 11157238 PubMed citation SUBMITTER Last Modified 22 October 2012