EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209579 - Azalomycin F5a

ChEBI IDCHEBI:209579
ChEBI NameAzalomycin F5a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H97N3O17
Net Charge0
Average Mass1096.407
Monoisotopic Mass1095.68180
SMILESCN=C(NC)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(O)CC(OC(=O)CC(=O)O)CC(O)CC(O)/C(C)=C\C=C/C1C)CC(O)C2O
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-
InChIKeyULHJRSBSTUGEPH-FRNAIONCSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1248/cpb.30.4006)
ChEBI Ontology
Outgoing Relation(s)
Azalomycin F5a (CHEBI:209579) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10E,12E,18E,20E)-15-[(E)-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
Manual XrefsDatabases
78444388ChemSpider