CHEBI:2260 - 7-deoxyloganic acid

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ChEBI Name 7-deoxyloganic acid
Definition A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by β-D-glucosyloxy and methyl groups respectively (the 1S,4aS,7S,7aR-diatereomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H24O9
Net Charge 0
Average Mass 360.35640
Monoisotopic Mass 360.14203
InChI InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1
SMILES C[C@H]1CC[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 7-deoxyloganic acid (CHEBI:2260) has functional parent 7-deoxyloganetic acid (CHEBI:77027)
7-deoxyloganic acid (CHEBI:2260) has role plant metabolite (CHEBI:76924)
7-deoxyloganic acid (CHEBI:2260) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
7-deoxyloganic acid (CHEBI:2260) is a β-D-glucoside (CHEBI:22798)
7-deoxyloganic acid (CHEBI:2260) is a cyclopentapyran (CHEBI:38606)
7-deoxyloganic acid (CHEBI:2260) is a iridoid monoterpenoid (CHEBI:50563)
7-deoxyloganic acid (CHEBI:2260) is a monosaccharide derivative (CHEBI:63367)
7-deoxyloganic acid (CHEBI:2260) is a monoterpene glycoside (CHEBI:72293)
7-deoxyloganic acid (CHEBI:2260) is conjugate acid of 7-deoxyloganate (CHEBI:76844)
Incoming 7-deoxyloganate (CHEBI:76844) is conjugate base of 7-deoxyloganic acid (CHEBI:2260)
(1S,4aS,7S,7aR)-1-(β-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Synonym Source
bis-desoxydihydromonotropein ChEBI
Manual Xrefs Databases
CPD-9981 MetaCyc
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Registry Number Type Source
1691468 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11397448 PubMed citation Europe PMC
17401822 PubMed citation Europe PMC
24103035 PubMed citation Europe PMC
Last Modified
27 June 2014