CHEBI:167897 - sch 210972(2−)

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ChEBI Name sch 210972(2−)
ChEBI ID CHEBI:167897
ChEBI ASCII Name sch 210972(2-)
Definition A hydroxy monocarboxylic acid anion that is the conjugate base of sch 210972 resulting from the deprotonation of the carboxy and hydroxy groups. Major microspecies 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 C25H33NO6
Net Charge -2
Average Mass 443.541
Monoisotopic Mass 443.23188
InChI InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/p-2/b13-6+,22-20-/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1
InChIKey AVZATKWNGXCSDN-IIRHHVPJSA-L
SMILES [H][C@]12C[C@@H](C)C[C@@H](C)[C@]1([H])[C@@H](\C([O-])=C1\C(=O)N[C@@H](C[C@](C)(O)C([O-])=O)C1=O)[C@]([H])(C=C2)C(\C)=C\C
ChEBI Ontology
Outgoing sch 210972(2−) (CHEBI:167897) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
sch 210972(2−) (CHEBI:167897) is conjugate base of sch 210972 (CHEBI:68749)
Incoming sch 210972 (CHEBI:68749) is conjugate acid of sch 210972(2−) (CHEBI:167897)
IUPAC Name
(2S)-3-{(2S,4Z)-4-[{(1R,2S,4aR,6S,8R,8aS)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(oxido)methylidene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoate
Synonyms Sources
sch 210972 UniProt
sch 210972 dianion ChEBI
Citation Waiting for Citations Type Source
26360642 PubMed citation SUBMITTER
Last Modified
08 April 2021