CHEBI:212294 - 2-methylelaiophylin

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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-methylelaiophylin
ChEBI ID CHEBI:212294
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H90O18
Net Charge 0
Average Mass 1039.307
Monoisotopic Mass 1038.61272
InChI InChI=1S/C55H90O18/c1-14-38-34(10)72-54(64,25-42(38)68-45-23-40(56)49(61)36(12)66-45)32(8)47(59)30(6)51-28(4)20-18-21-29(5)53(63)71-52(27(3)19-16-17-22-44(58)70-51)31(7)48(60)33(9)55(65)26-43(39(15-2)35(11)73-55)69-46-24-41(57)50(62)37(13)67-46/h16-22,27-28,30-43,45-52,56-57,59-62,64-65H,14-15,23-26H2,1-13H3/b19-16+,20-18+,22-17+,29-21+/t27-,28-,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40-,41-,42+,43+,45-,46-,47+,48+,49+,50+,51-,52-,54+,55+/m0/s1
InChIKey LMEAUGPRDIBMKA-VKZYWMMMSA-N
SMILES O=C1O[C@@H]([C@H](C=CC=CC(=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@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-methylelaiophylin (CHEBI:212294) 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]-3,7,15-trimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
Manual Xref Database
78438002 ChemSpider
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