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CHEBI:212663 - Borrelidin E

ChEBI IDCHEBI:212663
ChEBI NameBorrelidin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43NO7
Net Charge0
Average Mass505.652
Monoisotopic Mass505.30395
SMILESC[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)[C@H]1O
InChIInChI=1S/C28H43NO7/c1-16-12-17(2)26(32)18(3)13-19(4)27(33)20(15-29)8-5-6-11-24(36-25(31)14-23(16)30)21-9-7-10-22(21)28(34)35/h5-6,8,16-19,21-24,26-27,30,32-33H,7,9-14H2,1-4H3,(H,34,35)/b6-5+,20-8-/t16-,17+,18-,19-,21+,22+,23-,24-,26-,27+/m0/s1
InChIKeyJYDQFLOVUQYSLP-KPZLOJHTSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (28587270)
ChEBI Ontology
Outgoing Relation(s)
Borrelidin E (CHEBI:212663) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R)-2-[(2S,4E,6Z,8R,9S,11S,12S,13R,15S,16S)-7-cyano-8,12,16-trihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid
Manual XrefsDatabases
78441739ChemSpider