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CHEBI:202856 - Azalomycin F3a

ChEBI IDCHEBI:202856
ChEBI NameAzalomycin F3a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H93N3O17
Net Charge0
Average Mass1068.353
Monoisotopic Mass1067.65050
SMILESC/C1=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/C(C)C(C(C)CCC/C=C/CCCN=C(N)N)OC1=O)CC(O)C2O
InChIInChI=1S/C55H93N3O17/c1-32-17-14-19-36(5)51(35(4)16-12-10-8-9-11-13-23-58-54(56)57)74-53(71)37(6)20-15-18-33(2)45(63)29-46(64)38(7)43(61)22-21-34(3)48(66)31-55(72)52(70)47(65)28-42(75-55)27-41(73-50(69)30-49(67)68)25-39(59)24-40(60)26-44(32)62/h8-9,14-15,17-20,33-36,38-48,51-52,59-66,70,72H,10-13,16,21-31H2,1-7H3,(H,67,68)(H4,56,57,58)/b9-8+,18-15-,19-14-,32-17-,37-20-
InChIKeyUVUPYXTUQSCQRV-QDMXRTSESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (13848831)
ChEBI Ontology
Outgoing Relation(s)
Azalomycin F3a (CHEBI:202856) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10Z,12Z,18Z,20Z)-15-[(E)-10-(diaminomethylideneamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
57260812ChemSpider