CHEBI:139937 - bkos#28(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 bkos#28(1-)
ChEBI ID CHEBI:139937
Definition Conjugate base of bkos#28
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C22H39O7
Net Charge -1
Average Mass 415.542
Monoisotopic Mass 415.27013
InChI InChI=1S/C22H40O7/c1-17-19(24)16-20(25)22(29-17)28-14-12-10-8-6-4-2-3-5-7-9-11-13-18(23)15-21(26)27/h17,19-20,22,24-25H,2-16H2,1H3,(H,26,27)/p-1/t17-,19+,20+,22+/m0/s1
InChIKey ROKPPLKXJYFRQP-RJJVWVDVSA-M
SMILES C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)CC([O-])=O)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkos#28(1-) (CHEBI:139937) is a organic molecular entity (CHEBI:50860)