CHEBI:139656 - ascr#23(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#23(1-)
ChEBI ID CHEBI:139656
Definition Conjugate base of ascr#23
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C20H35O6
Net Charge -1
Average Mass 371.489
Monoisotopic Mass 371.24391
InChI InChI=1S/C20H36O6/c1-15(25-20-18(22)14-17(21)16(2)26-20)12-10-8-6-4-3-5-7-9-11-13-19(23)24/h11,13,15-18,20-22H,3-10,12,14H2,1-2H3,(H,23,24)/p-1/b13-11+/t15-,16+,17-,18-,20-/m1/s1
InChIKey VZEGHYGOTDETNP-VKEQHCKMSA-M
SMILES C[C@H](CCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#23(1-) (CHEBI:139656) is a organic molecular entity (CHEBI:50860)
ascr#23(1-) (CHEBI:139656) is conjugate base of ascr#23 (CHEBI:78961)
Incoming ascr#23 (CHEBI:78961) is conjugate acid of ascr#23(1-) (CHEBI:139656)