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CHEBI:221619 - JBIR-100

ChEBI IDCHEBI:221619
ChEBI NameJBIR-100
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H60O11
Net Charge0
Average Mass704.898
Monoisotopic Mass704.41356
SMILESCOC1/C=C/C=C(\C)CC(C)C(O)C(C)/C=C(C)/C=C(\C)C(=O)OC1C(C)C(O)C(C)C1(O)CC(OC(=O)/C=C/C(=O)O)C(C)C(C(C)C)O1
InChIInChI=1S/C39H60O11/c1-21(2)36-27(8)31(48-33(42)16-15-32(40)41)20-39(46,50-36)29(10)35(44)28(9)37-30(47-11)14-12-13-22(3)17-24(5)34(43)25(6)18-23(4)19-26(7)38(45)49-37/h12-16,18-19,21,24-25,27-31,34-37,43-44,46H,17,20H2,1-11H3,(H,40,41)/b14-12+,16-15+,22-13+,23-18+,26-19+
InChIKeyPQLOHEMXTLVMFP-NOUMOCAESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RI18 (ncbitaxon:1894972) - PubMed (20808316)
ChEBI Ontology
Outgoing Relation(s)
JBIR-100 (CHEBI:221619) is a macrolide (CHEBI:25106)
IUPAC Name 
(E)-4-[2-hydroxy-2-[3-hydroxy-4-[(4E,6E,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl]oxy-4-oxobut-2-enoic acid
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