CHEBI:141988 - 7-deoxyloganetic alcohol

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ChEBI Name 7-deoxyloganetic alcohol
ChEBI ID CHEBI:141988
Definition A cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by a hydroxymethyl and methyl group, respectively (the 1R,4aS,7S,7aR-diastereomer).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C10H16O3
Net Charge 0
Average Mass 184.233
Monoisotopic Mass 184.10994
InChI InChI=1S/C10H16O3/c1-6-2-3-8-7(4-11)5-13-10(12)9(6)8/h5-6,8-12H,2-4H2,1H3/t6-,8+,9+,10+/m0/s1
InChIKey HNINLNSOSQUTPL-JZKKDOLYSA-N
SMILES [C@]12([C@@](C(=CO[C@H]1O)CO)(CC[C@@H]2C)[H])[H]
Roles Classification
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-deoxyloganetic alcohol (CHEBI:141988) has functional parent 7-deoxyloganetic acid (CHEBI:77027)
7-deoxyloganetic alcohol (CHEBI:141988) has role plant metabolite (CHEBI:76924)
7-deoxyloganetic alcohol (CHEBI:141988) is a cyclopentapyran (CHEBI:38606)
7-deoxyloganetic alcohol (CHEBI:141988) is a iridoid monoterpenoid (CHEBI:50563)
7-deoxyloganetic alcohol (CHEBI:141988) is a lactol (CHEBI:38131)
7-deoxyloganetic alcohol (CHEBI:141988) is a primary alcohol (CHEBI:15734)
IUPAC Name
(1R,4aS,7S,7aR)-4-(hydroxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
Synonyms Sources
7-deoxyloganetic alcohol UniProt
7-deoxyloganetol MetaCyc
Manual Xref Database
CPD-21280 MetaCyc
View more database links
Citations Waiting for Citations Types Sources
24594312 PubMed citation Europe PMC
24710322 PubMed citation SUBMITTER
25675512 PubMed citation Europe PMC
Last Modified
14 September 2018