CHEBI:139690 - ascr#34(1-)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name ascr#34(1-)
ChEBI ID CHEBI:139690
Definition Conjugate base of ascr#34
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C25H47O6
Net Charge -1
Average Mass 443.638
Monoisotopic Mass 443.33781
InChI InChI=1S/C25H48O6/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/h20-23,25-27H,3-19H2,1-2H3,(H,28,29)/p-1/t20-,21+,22-,23-,25-/m1/s1
InChIKey CGDGMTQYHSCWOZ-FYEJASGKSA-M
SMILES C[C@H](CCCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#34(1-) (CHEBI:139690) is a organic molecular entity (CHEBI:50860)
ascr#34(1-) (CHEBI:139690) is conjugate base of ascr#34 (CHEBI:78972)
Incoming ascr#34 (CHEBI:78972) is conjugate acid of ascr#34(1-) (CHEBI:139690)