CHEBI:64226 - (3S,6R)-6-hydroxy-3-isopropenylheptanoate

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ChEBI Name (3S,6R)-6-hydroxy-3-isopropenylheptanoate ChEBI ID CHEBI:64226 ChEBI ASCII Name (3S,6R)-6-hydroxy-3-isopropenylheptanoate Definition An optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4S,7R)-4-isopropenyl-7-methyloxepan-2-one. 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 C10H17O3 Net Charge -1 Average Mass 185.24020 Monoisotopic Mass 185.11832 InChI InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/p-1/t8-,9+/m1/s1 InChIKey NQYDFAGFKCSWGI-BDAKNGLRSA-M SMILES C[C@@H](O)CC[C@@H](CC([O-])=O)C(C)=C ChEBI Ontology Outgoing (3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226) is a 6-hydroxy-3-isopropenylheptanoate (CHEBI:64224) (3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226) is conjugate base of (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64249) Incoming (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid (CHEBI:64249) is conjugate acid of (3S,6R)-6-hydroxy-3-isopropenylheptanoate (CHEBI:64226) IUPAC Name (3S,6R)-6-hydroxy-3-(prop-1-en-2-yl)heptanoate Synonyms Sources (3S,6R)-6-hydroxy-3-isopropenylheptanoate UniProt (3S,6R)-6-hydroxy-3-isopropenylheptanoate(1−) ChEBI Manual Xref Database CPD-10065 MetaCyc View more database links Citation Type Source 11157238 PubMed citation SUBMITTER Last Modified 20 March 2012