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CHEBI:203089 - Cymbimicin B

ChEBI IDCHEBI:203089
ChEBI NameCymbimicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H86N2O13
Net Charge0
Average Mass1019.327
Monoisotopic Mass1018.61299
SMILESCCC1C(C/C=C(\C)C(O)CC(OC)C(C)C(=O)NC(C(=O)NC2C(=O)OC(c3ccccc3)C2C)C(C)C)OC(/C=C/C=C/CC(CC(=O)/C=C/C(C)=C/C=C/C2COC(C)C(C)(O)C2O)OC)C(C)C1O
InChIInChI=1S/C58H86N2O13/c1-13-45-48(72-47(37(6)52(45)63)26-19-15-18-25-44(69-11)31-43(61)29-27-35(4)21-20-24-42-33-71-40(9)58(10,68)54(42)64)30-28-36(5)46(62)32-49(70-12)38(7)55(65)59-50(34(2)3)56(66)60-51-39(8)53(73-57(51)67)41-22-16-14-17-23-41/h14-24,26-29,34,37-40,42,44-54,62-64,68H,13,25,30-33H2,1-12H3,(H,59,65)(H,60,66)/b18-15+,24-20+,26-19+,29-27+,35-21+,36-28+
InChIKeyFSJKTPQBGQUBPN-VOJDNWENSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (9592559)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cymbimicin B (CHEBI:203089) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(E)-8-[6-[(1E,3E,9E,11E,13E)-14-(4,5-dihydroxy-5,6-dimethyloxan-3-yl)-6-methoxy-11-methyl-8-oxotetradeca-1,3,9,11,13-pentaenyl]-3-ethyl-4-hydroxy-5-methyloxan-2-yl]-5-hydroxy-3-methoxy-2,6-dimethyl-N-[3-methyl-1-[(4-methyl-2-oxo-5-phenyloxolan-3-yl)amino]-1-oxobutan-2-yl]oct-6-enamide
Manual XrefsDatabases
8900069ChemSpider