CHEBI:139653 - ascr#22(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#22(1-)
ChEBI ID CHEBI:139653
Definition Conjugate base of ascr#22
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C19H35O6
Net Charge -1
Average Mass 359.478
Monoisotopic Mass 359.24391
InChI InChI=1S/C19H36O6/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/h14-17,19-21H,3-13H2,1-2H3,(H,22,23)/p-1/t14-,15+,16-,17-,19-/m1/s1
InChIKey LCCMRNZRAPDWCS-FSNPWBFUSA-M
SMILES C[C@H](CCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#22(1-) (CHEBI:139653) is a organic molecular entity (CHEBI:50860)
ascr#22(1-) (CHEBI:139653) is conjugate base of ascr#22 (CHEBI:78960)
Incoming ascr#22 (CHEBI:78960) is conjugate acid of ascr#22(1-) (CHEBI:139653)