CHEBI:208682 - 17-hydroxy-8-desmethoxy-isomigrastatin

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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 17-hydroxy-8-desmethoxy-isomigrastatin
ChEBI ID CHEBI:208682
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H37NO7
Net Charge 0
Average Mass 475.582
Monoisotopic Mass 475.25700
InChI InChI=1S/C26H37NO7/c1-16(22(30)15-20(28)12-19-13-23(31)27-24(32)14-19)11-17(2)26-18(3)21(29)9-7-5-4-6-8-10-25(33)34-26/h5,7-8,10-11,16,18-21,26,28-29H,4,6,9,12-15H2,1-3H3,(H,27,31,32)/b7-5+,10-8+,17-11+/t16-,18-,20+,21+,26-/m0/s1
InChIKey IVFXTQLBVDABOI-DVYWRAFASA-N
SMILES O=C1O[C@@H](/C(=C/[C@@H](C(=O)C[C@H](O)CC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)CC=CCCC=C1)C
Metabolite of Species Details
Streptomyces platensis (NCBI:txid58346) See: PubMed
ChEBI Ontology
Outgoing 17-hydroxy-8-desmethoxy-isomigrastatin (CHEBI:208682) is a macrolide (CHEBI:25106)
IUPAC Name
4-[(E,2R,5S)-2-hydroxy-7-[(2R,3S,4R,6E,10E)-4-hydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
Manual Xref Database
78437926 ChemSpider
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