EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212652 - Borrelidin C

ChEBI IDCHEBI:212652
ChEBI NameBorrelidin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43NO7
Net Charge0
Average Mass505.652
Monoisotopic Mass505.30395
SMILESC[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2C[C@H](O)C[C@H]2C(=O)O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C1
InChIInChI=1S/C28H43NO7/c1-16-9-17(2)11-19(4)27(33)20(15-29)7-5-6-8-25(22-12-21(30)13-23(22)28(34)35)36-26(32)14-24(31)18(3)10-16/h5-7,16-19,21-25,27,30-31,33H,8-14H2,1-4H3,(H,34,35)/t16-,17+,18-,19-,21-,22+,23+,24-,25-,27+/m0/s1
InChIKeyXPAMOXHOVDBZNA-BSRFWFHSSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (28587270)
ChEBI Ontology
Outgoing Relation(s)
Borrelidin C (CHEBI:212652) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R,4S)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]-4-hydroxycyclopentane-1-carboxylic acid