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CHEBI:167897 - sch 210972(2−)

ChEBI IDCHEBI:167897
ChEBI Namesch 210972(2−)
Stars
ASCII Namesch 210972(2-)
DefinitionA 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.
Last Modified8 April 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H33NO6
Net Charge-2
Average Mass443.540
Monoisotopic Mass443.23188
SMILES[H][C@]12[C@H](C)C[C@H](C)C[C@]1([H])C=C[C@]([H])(/C(C)=C/C)[C@@H]2/C([O-])=C1/C(=O)N[C@@H](C[C@](C)(O)C(=O)[O-])C1=O
InChIInChI=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
InChIKeyAVZATKWNGXCSDN-IIRHHVPJSA-L
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
sch 210972 dianionChEBI
UniProt Name  Source
sch 210972UniProt
Citations