CHEBI:139671 - ascr#28(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#28(1-)
ChEBI ID CHEBI:139671
Definition Conjugate base of ascr#28
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C22H41O6
Net Charge -1
Average Mass 401.558
Monoisotopic Mass 401.29086
InChI InChI=1S/C22H42O6/c1-17(27-22-20(24)16-19(23)18(2)28-22)14-12-10-8-6-4-3-5-7-9-11-13-15-21(25)26/h17-20,22-24H,3-16H2,1-2H3,(H,25,26)/p-1
InChIKey HSLYPVWJYLQYET-UHFFFAOYSA-M
SMILES CC(CCCCCCCCCCCCCC([O-])=O)OC1OC(C)C(O)CC1O
ChEBI Ontology
Outgoing ascr#28(1-) (CHEBI:139671) is a organic molecular entity (CHEBI:50860)
ascr#28(1-) (CHEBI:139671) is conjugate base of ascr#28 (CHEBI:78966)
Incoming ascr#28 (CHEBI:78966) is conjugate acid of ascr#28(1-) (CHEBI:139671)