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CHEBI:217813 - Macbecin

ChEBI IDCHEBI:217813
ChEBI NameMacbecin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N2O8
Net Charge0
Average Mass558.672
Monoisotopic Mass558.29412
SMILESCO[C@H]1[C@@H](OC)C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C)C2=O
InChIInChI=1S/C30H42N2O8/c1-16-10-9-11-17(2)29(35)32-23-15-21(33)14-22(25(23)34)27(38-7)20(5)13-24(37-6)28(39-8)19(4)12-18(3)26(16)40-30(31)36/h9-12,14-16,19-20,24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b10-9-,17-11+,18-12+/t16-,19+,20+,24+,26-,27-,28-/m1/s1
InChIKeyPLTGBUPHJAKFMA-RCZMPJGQSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (7380729)
ChEBI Ontology
Outgoing Relation(s)
Macbecin (CHEBI:217813) is a azamacrocycle (CHEBI:52898)
Macbecin (CHEBI:217813) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4E,6Z,8R,9R,10E,12S,13R,14S,16S,17R)-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Manual XrefsDatabases
78438670ChemSpider