CHEBI:139642 - ascr#19(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#19(1-)
ChEBI ID CHEBI:139642
Definition Conjugate base of ascr#19
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C18H31O6
Net Charge -1
Average Mass 343.436
Monoisotopic Mass 343.21261
InChI InChI=1S/C18H32O6/c1-13(23-18-16(20)12-15(19)14(2)24-18)10-8-6-4-3-5-7-9-11-17(21)22/h9,11,13-16,18-20H,3-8,10,12H2,1-2H3,(H,21,22)/p-1/b11-9+/t13-,14+,15-,16-,18-/m1/s1
InChIKey KSEGTUNZXFPMMN-RSADRIIDSA-M
SMILES C[C@H](CCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing ascr#19(1-) (CHEBI:139642) is a organic molecular entity (CHEBI:50860)
ascr#19(1-) (CHEBI:139642) is conjugate base of ascr#19 (CHEBI:78957)
Incoming ascr#19 (CHEBI:78957) is conjugate acid of ascr#19(1-) (CHEBI:139642)