EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:139842 - bkas#16(1-)

Default Structure
ChEBI IDCHEBI:139842
ChEBI Namebkas#16(1-)
Stars
DefinitionConjugate base of bkas#16
SubmitterMichael Witting
DownloadsMolfile
FormulaC16H27O7
Net Charge-1
Average Mass331.385
Monoisotopic Mass331.17623
SMILESC[C@H](CCCCCC(=O)CC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C16H28O7/c1-10(6-4-3-5-7-12(17)8-15(20)21)22-16-14(19)9-13(18)11(2)23-16/h10-11,13-14,16,18-19H,3-9H2,1-2H3,(H,20,21)/p-1/t10-,11+,13-,14-,16-/m1/s1
InChIKeyKLCHBSZWWKJIFZ-DVAKLYJDSA-M
ChEBI Ontology
Outgoing Relation(s)
bkas#16(1-) (CHEBI:139842) is a organic molecular entity (CHEBI:50860)