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CHEBI:212007 - Azalomycin F4a

ChEBI IDCHEBI:212007
ChEBI NameAzalomycin F4a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H95N3O17
Net Charge0
Average Mass1082.380
Monoisotopic Mass1081.66615
SMILESCN=C(N)NCCC/C=C/CCCC(C)C1OC(=O)/C(C)=C\C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)CC(O)/C(C)=C\C=C/C1C)CC(O)C2O
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)28-42(74-51(70)31-50(68)69)26-40(60)25-41(61)27-45(33)63/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-
InChIKeyBQEFTEXUBGKSRY-IQKLFSEVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (13848831)
ChEBI Ontology
Outgoing Relation(s)
Azalomycin F4a (CHEBI:212007) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10Z,12Z,18Z,20Z)-5,7,9,23,25,27,31,33,34,35-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-3-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
78444980ChemSpider