CHEBI:139674 - ascr#29(1-)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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#29(1-)
ChEBI ID CHEBI:139674
Definition Conjugate base of ascr#29
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C23H41O6
Net Charge -1
Average Mass 413.569
Monoisotopic Mass 413.29086
InChI InChI=1S/C23H42O6/c1-18(28-23-21(25)17-20(24)19(2)29-23)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)27/h14,16,18-21,23-25H,3-13,15,17H2,1-2H3,(H,26,27)/p-1/b16-14+/t18-,19+,20-,21-,23-/m1/s1
InChIKey XUIDIXMFLJXJDI-XUAZKPKSSA-M
SMILES C[C@H](CCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#29(1-) (CHEBI:139674) is a organic molecular entity (CHEBI:50860)
ascr#29(1-) (CHEBI:139674) is conjugate base of ascr#29 (CHEBI:78967)
Incoming ascr#29 (CHEBI:78967) is conjugate acid of ascr#29(1-) (CHEBI:139674)