CHEBI:204466 - 2,2'-dimethylelaiophylin

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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 2,2'-dimethylelaiophylin
ChEBI ID CHEBI:204466
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C56H92O18
Net Charge 0
Average Mass 1053.334
Monoisotopic Mass 1052.62837
InChI InChI=1S/C56H92O18/c1-15-39-35(11)73-55(65,25-43(39)69-45-23-41(57)49(61)37(13)67-45)33(9)47(59)31(7)51-27(3)19-17-21-30(6)54(64)72-52(28(4)20-18-22-29(5)53(63)71-51)32(8)48(60)34(10)56(66)26-44(40(16-2)36(12)74-56)70-46-24-42(58)50(62)38(14)68-46/h17-22,27-28,31-52,57-62,65-66H,15-16,23-26H2,1-14H3/b19-17+,20-18+,29-22+,30-21+/t27-,28-,31-,32-,33-,34-,35+,36+,37-,38-,39+,40+,41-,42-,43+,44+,45-,46-,47+,48+,49+,50+,51-,52-,55+,56+/m0/s1
InChIKey VKUKIBXGSJGOCU-XEVYVBOWSA-N
SMILES O=C1O[C@@H]([C@H](C=CC=C(C(=O)O[C@@H]([C@H](C=CC=C1C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@@H]([C@@H](CC)[C@@H](C2)O[C@@H]3O[C@H]([C@@H](O)[C@H](C3)O)C)C)O)C)C)C)C)[C@H]([C@@H](O)[C@@H]([C@@]4(O[C@@H]([C@@H](CC)[C@@H](C4)O[C@@H]5O[C@H]([C@@H](O)[C@H](C5)O)C)C)O)C)C
Metabolite of Species Details
Streptomycesspecies ICBB 9297 (NCBI:txid1676752) See: PubMed
ChEBI Ontology
Outgoing 2,2'-dimethylelaiophylin (CHEBI:204466) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2S,3R,4S)-4-[(2R,4R,5R,6R)-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxypentan-2-yl]-3,7,11,15-tetramethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
Manual Xref Database
58918089 ChemSpider
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