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CHEBI:203784 - Azalomycin F4a 2-ethylpentyl ester

ChEBI IDCHEBI:203784
ChEBI NameAzalomycin F4a 2-ethylpentyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H109N3O17
Net Charge0
Average Mass1180.569
Monoisotopic Mass1179.77570
SMILESCCCC(CC)COC(=O)CC(=O)OC1CC(O)CC2CC(O)C(O)C(O)(CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C)/C=C\C=C(\C)C(=O)OC(C(C)CCC/C=C/CCCNC(N)=NC)C(C)/C=C\C=C(\C)C(O)CC(O)C1)O2
InChIInChI=1S/C63H109N3O17/c1-11-21-46(12-2)38-80-57(75)36-58(76)81-49-30-47(67)32-50-34-55(73)60(77)63(79,83-50)37-56(74)41(5)27-28-51(69)45(9)54(72)35-53(71)40(4)24-20-26-44(8)61(78)82-59(43(7)25-19-23-39(3)52(70)33-48(68)31-49)42(6)22-17-15-13-14-16-18-29-66-62(64)65-10/h13-14,19-20,23-26,40-43,45-56,59-60,67-74,77,79H,11-12,15-18,21-22,27-38H2,1-10H3,(H3,64,65,66)/b14-13+,24-20-,25-19-,39-23-,44-26-
InChIKeyGHXGVGWREDOHFM-TTZJCZNXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 211726 (ncbitaxon:686293) - DOI (10.1016/j.cclet.2010.03.025)
ChEBI Ontology
Outgoing Relation(s)
Azalomycin F4a 2-ethylpentyl ester (CHEBI:203784) is a macrolide (CHEBI:25106)
IUPAC Name 
3-O-[(10Z,12Z,18Z,20Z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl] 1-O-(2-ethylpentyl) propanedioate
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