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CHEBI:222627 - Desertomycin A

ChEBI IDCHEBI:222627
ChEBI NameDesertomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H109NO21
Net Charge0
Average Mass1192.529
Monoisotopic Mass1191.74921
SMILESCC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C(O)CCCN)OC1=O
InChIInChI=1S/C61H109NO21/c1-32-15-10-11-19-47(70)38(7)55(75)33(2)16-12-17-35(4)60(80)81-51(37(6)46(69)20-14-24-62)21-13-18-41(64)26-42(65)28-48(71)39(8)56(76)40(9)49(72)29-43(66)27-44(67)30-50(73)52(25-36(5)54(74)34(3)22-23-45(32)68)82-61-59(79)58(78)57(77)53(31-63)83-61/h10,13,15,17-18,22-23,25,32-34,37-59,61,63-79H,11-12,14,16,19-21,24,26-31,62H2,1-9H3/t32?,33?,34?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53-,54?,55?,56?,57-,58+,59+,61+/m1/s1
InChIKeyFKPDQSQJNFFSAS-BURXMLRQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces flavofungini (ncbitaxon:68200) - PubMed (13577856)
ChEBI Ontology
Outgoing Relation(s)
Desertomycin A (CHEBI:222627) is a macrolide (CHEBI:25106)
IUPAC Name 
42-(6-amino-3-hydroxyhexan-2-yl)-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-3,7,9,15,19,21,31,33-octamethyl-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one