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CHEBI:225284 - Azalomycin F4

ChEBI IDCHEBI:225284
ChEBI NameAzalomycin F4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H95N3O17
Net Charge0
Average Mass1082.380
Monoisotopic Mass1081.66615
SMILESCN=C(N)NCCC/C=C/CCC[C@H](C)[C@H]1OC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@@H](O)CC[C@@H](C)[C@H](O)C[C@@]2(O)O[C@H](C[C@H](O)C[C@H](OC(=O)CC(=O)O)C[C@@H](O)C[C@H](O)/C(C)=C\C=C/[C@H]1C)C[C@@H](O)[C@@H]2O
InChIInChI=1S/C56H95N3O17/c1-33-18-15-20-37(5)52(36(4)17-13-11-9-10-12-14-24-59-55(57)58-8)75-54(72)38(6)21-16-19-34(2)46(64)30-47(65)39(7)44(62)23-22-35(3)49(67)32-56(73)53(71)48(66)29-43(76-56)27-40(60)25-42(26-41(61)28-45(33)63)74-51(70)31-50(68)69/h9-10,15-16,18-21,34-37,39-49,52-53,60-67,71,73H,11-14,17,22-32H2,1-8H3,(H,68,69)(H3,57,58,59)/b10-9+,19-16-,20-15-,33-18-,38-21-/t34-,35+,36-,37+,39+,40+,41+,42-,43+,44-,45-,46+,47-,48+,49+,52+,53-,56+/m0/s1
InChIKeyVVTOEWSNSYMJKD-ZUZKWIGSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5453304)
ChEBI Ontology
Outgoing Relation(s)
Azalomycin F4 (CHEBI:225284) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(1R,3S,5R,7S,9S,10E,12E,14R,15R,18Z,20E,22S,23R,25S,26R,27S,30R,31R,33R,34S,35R)-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E,2S)-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]oxy]-3-oxopropanoic acid
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