CHEBI:215406 - 16,17-didehydro-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 16,17-didehydro-isomigrastatin
ChEBI ID CHEBI:215406
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37NO7
Net Charge 0
Average Mass 487.593
Monoisotopic Mass 487.25700
InChI InChI=1S/C27H37NO7/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)27-19(3)26(33)22(34-4)12-7-5-6-8-13-25(32)35-27/h7-9,11-14,17,19-20,22,26-27,33H,5-6,10,15-16H2,1-4H3,(H,28,30,31)/b11-9+,12-7+,13-8+,18-14+/t17-,19-,22-,26-,27-/m0/s1
InChIKey LQVKRWFHOOILCY-BWJLEZRPSA-N
SMILES O=C1O[C@@H](/C(=C/[C@@H](C(=O)/C=C/CC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)[C@@H](OC)C=CCCC=C1)C
Metabolite of Species Details
Streptomyces platensis (NCBI:txid58346) See: PubMed
ChEBI Ontology
Outgoing 16,17-didehydro-isomigrastatin (CHEBI:215406) is a macrolide (CHEBI:25106)
IUPAC Name
4-[(2E,5S,6E)-7-[(2R,3S,4S,5S,6E,10E)-4-hydroxy-5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxoocta-2,6-dienyl]piperidine-2,6-dione
Manual Xref Database
24604149 ChemSpider
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