CHEBI:139856 - bkas#22(1-)

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#22(1-)
ChEBI ID CHEBI:139856
Definition Conjugate base of bkas#22
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C19H33O7
Net Charge -1
Average Mass 373.462
Monoisotopic Mass 373.22318
InChI InChI=1S/C19H34O7/c1-13(25-19-17(22)12-16(21)14(2)26-19)9-7-5-3-4-6-8-10-15(20)11-18(23)24/h13-14,16-17,19,21-22H,3-12H2,1-2H3,(H,23,24)/p-1/t13-,14+,16-,17-,19-/m1/s1
InChIKey YOLPWJUPZXRYNQ-UGEIDEBPSA-M
SMILES C[C@H](CCCCCCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing bkas#22(1-) (CHEBI:139856) is a organic molecular entity (CHEBI:50860)