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CHEBI:222574 - Moyukamycin

ChEBI IDCHEBI:222574
ChEBI NameMoyukamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H76O13
Net Charge0
Average Mass849.112
Monoisotopic Mass848.52859
SMILESCO[C@H]1CC[C@H](OC[C@@H]2CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)/C(C)=C/[C@H](C)C(=O)O)O4)O3)O[C@]23O[C@H]([C@H]2O[C@](C)(O)[C@H](C)C[C@@H]2C)C[C@@H]3C)O[C@@H]1C
InChIInChI=1S/C47H76O13/c1-25(40(49)26(2)20-29(5)43(50)51)19-27(3)41-32(8)35(48)23-46(59-41)18-17-44(10,60-46)38-15-13-34(24-54-39-16-14-36(53-12)33(9)55-39)47(57-38)31(7)22-37(56-47)42-28(4)21-30(6)45(11,52)58-42/h19-20,27-39,41-42,48,52H,13-18,21-24H2,1-12H3,(H,50,51)/b25-19+,26-20+/t27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,41+,42-,44-,45-,46+,47-/m0/s1
InChIKeyFSDVMXQBHNGLNZ-CINCOAAXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3840794)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Moyukamycin (CHEBI:222574) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2S,3E,6E,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2S,4S,5S,6S,9R)-2-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-6-[[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxymethyl]-4-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonona-3,6-dienoic acid
Manual XrefsDatabases
78443022ChemSpider