CHEBI:76846 - 7-deoxyloganetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-deoxyloganetate
ChEBI ID CHEBI:76846
Definition A monocarboxylic acid anion that is the conjugate base of 7-deoxyloganetic 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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C10H13O4
Net Charge -1
Average Mass 197.20840
Monoisotopic Mass 197.08193
InChI InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/p-1/t5-,6+,8+,10+/m0/s1
InChIKey DKGYTSKPMLWLEI-FIZOKRMRSA-M
SMILES C[C@H]1CC[C@H]2[C@@H]1[C@H](O)OC=C2C([O-])=O
ChEBI Ontology
Outgoing 7-deoxyloganetate (CHEBI:76846) is a monocarboxylic acid anion (CHEBI:35757)
7-deoxyloganetate (CHEBI:76846) is conjugate base of 7-deoxyloganetic acid (CHEBI:77027)
Incoming 7-deoxyloganetic acid (CHEBI:77027) is conjugate acid of 7-deoxyloganetate (CHEBI:76846)
IUPAC Name
(1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Synonym Source
7-deoxyloganetate UniProt
Manual Xref Database
CPD-9980 MetaCyc
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Citation
Last Modified
13 September 2018