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CHEBI:215406 - 16,17-didehydro-isomigrastatin

ChEBI IDCHEBI:215406
ChEBI Name16,17-didehydro-isomigrastatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H37NO7
Net Charge0
Average Mass487.593
Monoisotopic Mass487.25700
SMILESCO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O
InChIInChI=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
InChIKeyLQVKRWFHOOILCY-BWJLEZRPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (16117518)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
24604149ChemSpider