CHEBI:139624 - ascr#13(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#13(1-)
ChEBI ID CHEBI:139624
Definition Conjugate base of ascr#13
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C14H23O6
Net Charge -1
Average Mass 287.329
Monoisotopic Mass 287.15001
InChI InChI=1S/C14H24O6/c1-9(6-4-3-5-7-13(17)18)19-14-12(16)8-11(15)10(2)20-14/h5,7,9-12,14-16H,3-4,6,8H2,1-2H3,(H,17,18)/p-1/b7-5+/t9-,10+,11-,12-,14-/m1/s1
InChIKey OZXQOEFFYWNZJI-UYWLPYIRSA-M
SMILES C[C@H](CCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#13(1-) (CHEBI:139624) is a organic molecular entity (CHEBI:50860)
ascr#13(1-) (CHEBI:139624) is conjugate base of ascr#13 (CHEBI:78851)
Incoming ascr#13 (CHEBI:78851) is conjugate acid of ascr#13(1-) (CHEBI:139624)