CHEBI:139828 - bkas#1(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 bkas#1(1-)
ChEBI ID CHEBI:139828
Definition Conjugate base of bkas#1
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C13H21O7
Net Charge -1
Average Mass 289.302
Monoisotopic Mass 289.12928
InChI InChI=1S/C13H22O7/c1-7(3-4-9(14)5-12(17)18)19-13-11(16)6-10(15)8(2)20-13/h7-8,10-11,13,15-16H,3-6H2,1-2H3,(H,17,18)/p-1/t7-,8+,10-,11-,13-/m1/s1
InChIKey SUJXPSLMLQAVSH-FXQRJEMGSA-M
SMILES C[C@H](CCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkas#1(1-) (CHEBI:139828) is a organic molecular entity (CHEBI:50860)