EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217204 - Cotteslosin A

ChEBI IDCHEBI:217204
ChEBI NameCotteslosin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H45N5O7
Net Charge0
Average Mass635.762
Monoisotopic Mass635.33190
SMILESCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C34H45N5O7/c1-19(2)28-32(44)37-29(20(3)4)34(46)38(5)27(18-22-10-14-24(41)15-11-22)31(43)35-25(17-21-8-12-23(40)13-9-21)33(45)39-16-6-7-26(39)30(42)36-28/h8-15,19-20,25-29,40-41H,6-7,16-18H2,1-5H3,(H,35,43)(H,36,42)(H,37,44)/t25-,26-,27-,28-,29-/m0/s1
InChIKeyVADXJHCQZHEEOX-ZIUUJSQJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (19245260)
ChEBI Ontology
Outgoing Relation(s)
Cotteslosin A (CHEBI:217204) is a azamacrocycle (CHEBI:52898)
Cotteslosin A (CHEBI:217204) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3S,6S,9S,12S,15S)-3,6-bis[(4-hydroxyphenyl)methyl]-7-methyl-9,12-di(propan-2-yl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Manual XrefsDatabases
27024094ChemSpider