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CHEBI:139687 - ascr#33(1-)

ChEBI IDCHEBI:139687
ChEBI Nameascr#33(1-)
Stars
DefinitionConjugate base of ascr#33
SubmitterMichael Witting
DownloadsMolfile
FormulaC25H45O6
Net Charge-1
Average Mass441.629
Monoisotopic Mass441.32216
SMILESC[C@H](CCCCCCCCCCCCCC/C=C/C(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C25H46O6/c1-20(30-25-23(27)19-22(26)21(2)31-25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(28)29/h16,18,20-23,25-27H,3-15,17,19H2,1-2H3,(H,28,29)/p-1/b18-16+/t20-,21+,22-,23-,25-/m1/s1
InChIKeyJQBYGLLYFPDQJA-NVJHKYEUSA-M
ChEBI Ontology
Outgoing Relation(s)
ascr#33(1-) (CHEBI:139687) is a organic molecular entity (CHEBI:50860)
ascr#33(1-) (CHEBI:139687) is conjugate base of ascr#33 (CHEBI:78971)
Incoming Relation(s)
ascr#33 (CHEBI:78971) is conjugate acid of ascr#33(1-) (CHEBI:139687)