CHEBI:218080 - Borrelidin L

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 Borrelidin L
ChEBI ID CHEBI:218080
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H43NO7
Net Charge 0
Average Mass 505.652
Monoisotopic Mass 505.30395
InChI InChI=1S/C28H43NO7/c1-16-12-17(2)26(32)19(4)23(30)14-25(31)36-24(21-9-7-10-22(21)28(34)35)11-6-5-8-20(15-29)27(33)18(3)13-16/h5-6,8,16-19,21-24,26-27,30,32-33H,7,9-14H2,1-4H3,(H,34,35)/t16-,17+,18+,19-,21-,22-,23+,24+,26+,27-/m1/s1
InChIKey SIOKKMJNZJVHPS-VTKHTTOASA-N
SMILES O=C1O[C@H]([C@H]2[C@H](C(=O)O)CCC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@@H](C[C@@H]([C@@H]([C@@H]([C@H](C1)O)C)O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Borrelidin L (CHEBI:218080) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R)-2-[(2S,8R,9S,11R,13S,14S,15R,16S)-7-cyano-8,14,16-trihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid