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CHEBI:225278 - Azalomycin F5

ChEBI IDCHEBI:225278
ChEBI NameAzalomycin F5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H97N3O17
Net Charge0
Average Mass1096.407
Monoisotopic Mass1095.68180
SMILESCN=C(NC)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/C57H97N3O17/c1-34-19-16-21-38(5)53(37(4)18-14-12-10-11-13-15-25-60-56(58-8)59-9)76-55(73)39(6)22-17-20-35(2)47(65)31-48(66)40(7)45(63)24-23-36(3)50(68)33-57(74)54(72)49(67)30-44(77-57)28-41(61)26-43(27-42(62)29-46(34)64)75-52(71)32-51(69)70/h10-11,16-17,19-22,35-38,40-50,53-54,61-68,72,74H,12-15,18,23-33H2,1-9H3,(H,69,70)(H2,58,59,60)/b11-10+,20-17-,21-16-,34-19-,39-22-/t35-,36+,37+,38+,40+,41-,42-,43+,44+,45+,46-,47-,48+,49-,50-,53+,54+,57-/m1/s1
InChIKeyULHJRSBSTUGEPH-VGGXQRNASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5453304)
ChEBI Ontology
Outgoing Relation(s)
Azalomycin F5 (CHEBI:225278) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(1S,3S,5R,7S,9R,10E,12E,14S,15S,18Z,20E,22R,23R,25S,26S,27S,30S,31R,33R,34S,35R)-15-[(E,2S)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
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