CHEBI:139636 - ascr#17(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#17(1-)
ChEBI ID CHEBI:139636
Definition Conjugate base of ascr#17
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C17H29O6
Net Charge -1
Average Mass 329.409
Monoisotopic Mass 329.19696
InChI InChI=1S/C17H30O6/c1-12(9-7-5-3-4-6-8-10-16(20)21)22-17-15(19)11-14(18)13(2)23-17/h8,10,12-15,17-19H,3-7,9,11H2,1-2H3,(H,20,21)/p-1/b10-8+/t12-,13+,14-,15-,17-/m1/s1
InChIKey NEVPBIQTDNVVMK-KUTOLYOMSA-M
SMILES C[C@H](CCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#17(1-) (CHEBI:139636) is a organic molecular entity (CHEBI:50860)
ascr#17(1-) (CHEBI:139636) is conjugate base of ascr#17 (CHEBI:78952)
Incoming ascr#17 (CHEBI:78952) is conjugate acid of ascr#17(1-) (CHEBI:139636)