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CHEBI:200159 - 23-(10-methyl)undecanoic acid demalonylazalomycin F4a ester

ChEBI IDCHEBI:200159
ChEBI Name23-(10-methyl)undecanoic acid demalonylazalomycin F4a ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H115N3O15
Net Charge0
Average Mass1178.641
Monoisotopic Mass1177.83282
SMILESCN=C(N)NCCCC=CCCC[C@H](C)[C@@H]1OC(=O)C(C)=CC=CC(C)C(O)CC(O)C(C)C(O)CC[C@H](C)[C@@H](O)C[C@@]2(O)O[C@@H](C[C@@H](OC(=O)CCCCCCCCC(C)C)C[C@H](O)C[C@@H](O)C[C@H](O)C(C)=CC=CC1C)C[C@@H](O)[C@@H]2O
InChIInChI=1S/C65H115N3O15/c1-42(2)25-19-15-11-12-17-21-31-60(77)81-52-36-50(69)35-51(70)37-55(72)43(3)27-23-29-47(7)61(46(6)26-20-16-13-14-18-22-34-68-64(66)67-10)82-63(79)48(8)30-24-28-44(4)56(73)40-57(74)49(9)54(71)33-32-45(5)59(76)41-65(80)62(78)58(75)39-53(38-52)83-65/h13-14,23-24,27-30,42,44-47,49-59,61-62,69-76,78,80H,11-12,15-22,25-26,31-41H2,1-10H3,(H3,66,67,68)/t44?,45-,46-,47?,49?,50+,51+,52-,53-,54?,55-,56?,57?,58+,59-,61-,62-,65+/m0/s1
InChIKeyUEVRSRIAXOGKNQ-QEYPXDRPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 211726 (ncbitaxon:686293) - PubMed (23481678)
ChEBI Ontology
Outgoing Relation(s)
23-(10-methyl)undecanoic acid demalonylazalomycin F4a ester (CHEBI:200159) is a macrolide (CHEBI:25106)
IUPAC Name 
[(1R,3S,5R,7R,9S,15S,30S,31S,33R,34S,35R)-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(2S)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl] 10-methylundecanoate