CHEBI:139693 - ascr#35(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#35(1-)
ChEBI ID CHEBI:139693
Definition Conjugate base of ascr#35
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C26H47O6
Net Charge -1
Average Mass 455.649
Monoisotopic Mass 455.33781
InChI InChI=1S/C26H48O6/c1-21(31-26-24(28)20-23(27)22(2)32-26)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-25(29)30/h17,19,21-24,26-28H,3-16,18,20H2,1-2H3,(H,29,30)/p-1/b19-17+/t21-,22+,23-,24-,26-/m1/s1
InChIKey GIUKRFWFBBFDTQ-LAOJQUNESA-M
SMILES C[C@H](CCCCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#35(1-) (CHEBI:139693) is a organic molecular entity (CHEBI:50860)
ascr#35(1-) (CHEBI:139693) is conjugate base of ascr#35 (CHEBI:78973)
Incoming ascr#35 (CHEBI:78973) is conjugate acid of ascr#35(1-) (CHEBI:139693)