CHEBI:142060 - equisetin(1−)

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ChEBI Name equisetin(1−)
ChEBI ID CHEBI:142060
ChEBI ASCII Name equisetin(1-)
Definition An organic anion resulting from the deprotonation of the enol moiety of equisetin. Major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C22H30NO4
Net Charge -1
Average Mass 372.479
Monoisotopic Mass 372.21803
InChI InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/p-1/b6-5+,20-18-/t13-,14-,15-,16-,17+,22-/m1/s1
InChIKey QNQBPPQLRODXET-HMHJLHGTSA-M
SMILES C1C[C@H](C[C@@]2([C@@]1([C@@]([C@@](C=C2)(/C=C/C)[H])(\C(\[O-])=C/3\C(N([C@H](C3=O)CO)C)=O)C)[H])[H])C
Roles Classification
Biological Role(s): quorum sensing inhibitor
Any compound that interferes with bacterial communication (quorum sensing, QS).
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ChEBI Ontology
Outgoing equisetin(1−) (CHEBI:142060) has role quorum sensing inhibitor (CHEBI:138977)
equisetin(1−) (CHEBI:142060) is a organic anion (CHEBI:25696)
equisetin(1−) (CHEBI:142060) is conjugate base of equisetin (CHEBI:142135)
Incoming equisetin (CHEBI:142135) is conjugate acid of equisetin(1−) (CHEBI:142060)
IUPAC Name
(Z)-{(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}[(5S)-5-(hydroxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]methanolate
Synonym Source
equisetin UniProt
Manual Xref Database
CPD-17992 MetaCyc
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Citations Waiting for Citations Types Sources
15724180 PubMed citation SUBMITTER
28379186 PubMed citation Europe PMC
28401214 PubMed citation SUBMITTER
Last Modified
07 September 2018