CHEBI:212665 - Mupirocin F2

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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 Mupirocin F2
ChEBI ID CHEBI:212665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H42O9
Net Charge 0
Average Mass 498.613
Monoisotopic Mass 498.28288
InChI InChI=1S/C26H42O9/c1-16(13-23(30)32-11-9-7-5-4-6-8-10-22(28)29)12-21-26(31)25-19(15-33-21)14-20(34-25)24(35-26)17(2)18(3)27/h13,17-21,24-25,27,31H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20+,21-,24-,25-,26+/m0/s1
InChIKey OWPQRCRAFRHUIF-REVXWKCCSA-N
SMILES O=C(OCCCCCCCCC(=O)O)/C=C(/C[C@@H]1OC[C@@H]2C[C@@H]3[C@@H](O[C@@]1(O)[C@H]2O3)[C@H]([C@@H](O)C)C)\C
Metabolite of Species Details
Pseudomonas fluorescens (NCBI:txid294) See: DOI
ChEBI Ontology
Outgoing Mupirocin F2 (CHEBI:212665) is a organic heterobicyclic compound (CHEBI:27171)
Mupirocin F2 (CHEBI:212665) is a oxacycle (CHEBI:38104)
IUPAC Name
9-[(E)-4-[(1R,2S,4R,5S,8S,9S)-4-hydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-3,6,10-trioxatricyclo[6.2.1.04,9]undecan-5-yl]-3-methylbut-2-enoyl]oxynonanoic acid