CHEBI:226239 - Portmicin

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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 Portmicin
ChEBI ID CHEBI:226239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H76O14
Net Charge 0
Average Mass 829.078
Monoisotopic Mass 828.52351
InChI InChI=1S/C44H76O14/c1-14-32(45)41(9)20-23(3)44(48,58-41)33-19-22(2)39(54-33)42(10)21-31(53-34-16-15-29(49-11)28(8)52-34)38(56-42)30-17-18-43(55-30)27(7)37(51-13)25(5)36(57-43)24(4)35(50-12)26(6)40(46)47/h22-39,45,48H,14-21H2,1-13H3,(H,46,47)/t22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38-,39+,41-,42-,43-,44-/m0/s1
InChIKey NEIZBXNLNGSVCX-MJDUMZDQSA-N
SMILES O=C(O)[C@H]([C@H](OC)[C@@H]([C@H]1O[C@]2(O[C@H]([C@@H]3O[C@@]([C@@H]4O[C@@H]([C@]5(O[C@@]([C@H](O)CC)(C)C[C@@H]5C)O)C[C@@H]4C)(C)C[C@H]3O[C@@H]6O[C@@H]([C@@H](OC)CC6)C)CC2)[C@H](C)[C@@H]([C@H]1C)OC)C)C
Metabolite of Species Details
Nocardiopsis (NCBI:txid2013) See: PubMed
ChEBI Ontology
Outgoing Portmicin (CHEBI:226239) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name
(2S,3R,4S)-4-[(2S,5R,7S,8R,9R,10R)-2-[(2R,3R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S)-2-hydroxy-5-[(1R)-1-hydroxypropyl]-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-5-methyloxolan-2-yl]-9-methoxy-8,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid
Manual Xref Database
9940685 ChemSpider
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