CHEBI:215053 - 17-Hydroxy-8-desmethyl-isomigrastatin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-desmethyl-isomigrastatin
ChEBI ID CHEBI:215053
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(20(28)11-8-9-19-14-22(30)27-23(31)15-19)13-17(2)26-18(3)25(33)21(29)10-6-4-5-7-12-24(32)34-26/h6-7,10,12-13,16,18-19,21,25-26,29,33H,4-5,8-9,11,14-15H2,1-3H3,(H,27,30,31)/b10-6+,12-7+,17-13+/t16-,18-,21-,25-,26-/m0/s1
InChIKey UBYNDTKCKXLUTH-QAUUDXSFSA-N
SMILES O=C1O[C@@H](/C(=C/[C@@H](C(=O)CCCC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)[C@@H](O)C=CCCC=C1)C
Metabolite of Species Details
Streptomyces platensis (NCBI:txid58346) See: PubMed
ChEBI Ontology
Outgoing 17-Hydroxy-8-desmethyl-isomigrastatin (CHEBI:215053) is a macrolide (CHEBI:25106)
IUPAC Name
4-[(E,5S)-7-[(2R,3S,4S,5S,6E,10E)-4,5-dihydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
Manual Xref Database
78438606 ChemSpider
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