CHEBI:139868 - bkas#28

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 bkas#28
ChEBI ID CHEBI:139868
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C22H40O7
Net Charge 0
Average Mass 416.550
Monoisotopic Mass 416.27740
InChI InChI=1S/C22H40O7/c1-16(28-22-20(25)15-19(24)17(2)29-22)12-10-8-6-4-3-5-7-9-11-13-18(23)14-21(26)27/h16-17,19-20,22,24-25H,3-15H2,1-2H3,(H,26,27)/t16-,17+,19-,20-,22-/m1/s1
InChIKey RYEGSQBSXWUUPK-HTJFHPCASA-N
SMILES C[C@H](CCCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkas#28 (CHEBI:139868) is a organic molecular entity (CHEBI:50860)