CHEBI:199671 - Disciformycin A

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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 Disciformycin A
ChEBI ID CHEBI:199671
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H40O10
Net Charge 0
Average Mass 524.607
Monoisotopic Mass 524.26215
InChI InChI=1S/C27H40O10/c1-7-15(4)19-11-9-16(5)24(37-27-23(32)22(31)20(13-28)35-27)25(36-21(30)12-14(2)3)18(29)10-8-17(6)26(33)34-19/h7-9,14,19-20,22-25,27-28,31-32H,10-13H2,1-6H3/b15-7-,16-9+,17-8-/t19-,20-,22-,23+,24-,25-,27-/m1/s1
InChIKey XNEJFSCXUANVQT-VACHOHDASA-N
SMILES O=C1O[C@@H](/C(=C\C)/C)CC=C([C@@H](O[C@H]2O[C@H](CO)[C@H]([C@@H]2O)O)[C@@H](C(CC=C1C)=O)OC(=O)CC(C)C)C
Metabolite of Species Details
Pyxidicoccus fallax (NCBI:txid394095) See: PubMed
ChEBI Ontology
Outgoing Disciformycin A (CHEBI:199671) is a macrolide (CHEBI:25106)
IUPAC Name
[(3Z,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-3,9-dien-7-yl] 3-methylbutanoate
Manual Xref Database
34452020 ChemSpider
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