CHEBI:139650 - ascr#21(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#21(1-)
ChEBI ID CHEBI:139650
Definition Conjugate base of ascr#21
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C19H33O6
Net Charge -1
Average Mass 357.462
Monoisotopic Mass 357.22826
InChI InChI=1S/C19H34O6/c1-14(24-19-17(21)13-16(20)15(2)25-19)11-9-7-5-3-4-6-8-10-12-18(22)23/h10,12,14-17,19-21H,3-9,11,13H2,1-2H3,(H,22,23)/p-1/b12-10+/t14-,15+,16-,17-,19-/m1/s1
InChIKey XUGAOOQYBZSMCP-ZXSNAGKJSA-M
SMILES C[C@H](CCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#21(1-) (CHEBI:139650) is a organic molecular entity (CHEBI:50860)
ascr#21(1-) (CHEBI:139650) is conjugate base of ascr#21 (CHEBI:78959)
Incoming ascr#21 (CHEBI:78959) is conjugate acid of ascr#21(1-) (CHEBI:139650)