CHEBI:212159 - Hygrobafilomycin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hygrobafilomycin
ChEBI ID CHEBI:212159
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H60O12
Net Charge 0
Average Mass 756.930
Monoisotopic Mass 756.40848
InChI InChI=1S/C42H60O12/c1-22(2)38-28(8)33(51-34(43)16-15-31-20-35(44)52-41(31)48)21-42(49,54-38)30(10)37(46)29(9)39-32(50-11)14-12-13-23(3)17-25(5)36(45)26(6)18-24(4)19-27(7)40(47)53-39/h12-16,18-20,22,25-26,28-30,32-33,36-39,45-46,49H,17,21H2,1-11H3/b14-12+,16-15+,23-13+,24-18+,27-19+/t25-,26+,28-,29-,30-,32-,33+,36-,37+,38+,39+,42+/m0/s1
InChIKey NCGWSFZKZKXDRF-FBCDOOEFSA-N
SMILES O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1C)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](C)[C@@H](C2)OC(=O)/C=C/C=3C(=O)OC(C3)=O)C(C)C)O)C)C
Metabolite of Species Details
Streptomyces var.oviensis (NCBI:txid67373) See: PubMed
ChEBI Ontology
Outgoing Hygrobafilomycin (CHEBI:212159) is a macrolide (CHEBI:25106)
IUPAC Name
[(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,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] (E)-3-(2,5-dioxouran-3-yl)prop-2-enoate