CHEBI:139662 - ascr#25(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#25(1-)
ChEBI ID CHEBI:139662
Definition Conjugate base of ascr#25
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C21H37O6
Net Charge -1
Average Mass 385.516
Monoisotopic Mass 385.25956
InChI InChI=1S/C21H38O6/c1-16(26-21-19(23)15-18(22)17(2)27-21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h12,14,16-19,21-23H,3-11,13,15H2,1-2H3,(H,24,25)/p-1/b14-12+/t16-,17+,18-,19-,21-/m1/s1
InChIKey MTVUVHUAEUQKIN-YWWXTUTHSA-M
SMILES C[C@H](CCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#25(1-) (CHEBI:139662) is a organic molecular entity (CHEBI:50860)
ascr#25(1-) (CHEBI:139662) is conjugate base of ascr#25 (CHEBI:78963)
Incoming ascr#25 (CHEBI:78963) is conjugate acid of ascr#25(1-) (CHEBI:139662)