EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224925 - Clifednamide I

ChEBI IDCHEBI:224925
ChEBI NameClifednamide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34N2O6
Net Charge0
Average Mass506.599
Monoisotopic Mass506.24169
SMILESCC(=O)[C@H]1[C@@H]2C=C[C@@H]3/C=C/C=C/C(=O)NCC[C@H](O)[C@@H]4NC(=O)C(=C(O)/C=C/C=C/[C@@H]3[C@H]2C[C@H]1C)C4=O
InChIInChI=1S/C29H34N2O6/c1-16-15-21-19-8-4-5-9-22(33)26-28(36)27(31-29(26)37)23(34)13-14-30-24(35)10-6-3-7-18(19)11-12-20(21)25(16)17(2)32/h3-12,16,18-21,23,25,27,33-34H,13-15H2,1-2H3,(H,30,35)(H,31,37)/b7-3+,8-4+,9-5+,10-6+,26-22?/t16-,18+,19+,20-,21-,23+,25+,27+/m1/s1
InChIKeyKPDHSOBEWRSFCG-DAXZKZPRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32915576)
ChEBI Ontology
Outgoing Relation(s)
Clifednamide I (CHEBI:224925) is a azamacrocycle (CHEBI:52898)
Clifednamide I (CHEBI:224925) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3E,5E,7R,8R,10R,11R,12R,15S,16E,18E,24S,25S)-11-acetyl-2,24-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.07,15.08,12]octacosa-1,3,5,13,16,18-hexaene-20,27,28-trione