CHEBI:139681 - ascr#31(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#31(1-)
ChEBI ID CHEBI:139681
Definition Conjugate base of ascr#31
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C24H43O6
Net Charge -1
Average Mass 427.596
Monoisotopic Mass 427.30651
InChI InChI=1S/C24H44O6/c1-19(29-24-22(26)18-21(25)20(2)30-24)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23(27)28/h15,17,19-22,24-26H,3-14,16,18H2,1-2H3,(H,27,28)/p-1/b17-15+/t19-,20+,21-,22-,24-/m1/s1
InChIKey AUKDJCIZWSIDEC-QGKNABGUSA-M
SMILES C[C@H](CCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#31(1-) (CHEBI:139681) is a organic molecular entity (CHEBI:50860)
ascr#31(1-) (CHEBI:139681) is conjugate base of ascr#31 (CHEBI:78969)
Incoming ascr#31 (CHEBI:78969) is conjugate acid of ascr#31(1-) (CHEBI:139681)