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CHEBI:220808 - Acurin A

ChEBI IDCHEBI:220808
ChEBI NameAcurin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27NO5
Net Charge0
Average Mass373.449
Monoisotopic Mass373.18892
SMILESC/C=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)[C@H]1C[C@H](CO)NC1=O)C(=O)OC
InChIInChI=1S/C21H27NO5/c1-5-16(21(26)27-4)11-14(2)9-7-6-8-10-15(3)19(24)18-12-17(13-23)22-20(18)25/h5-11,17-18,23H,12-13H2,1-4H3,(H,22,25)/b8-6+,9-7+,14-11+,15-10+,16-5+/t17-,18-/m1/s1
InChIKeyJZIMOTIFZOTFPM-OJDRRNJJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) - PubMed (32234543)
ChEBI Ontology
Outgoing Relation(s)
Acurin A (CHEBI:220808) is a fatty acid ester (CHEBI:35748)