CHEBI:80125 - Isomigrastatin

ChEBI IDCHEBI:80125
ChEBI NameIsomigrastatin
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FormulaC27H39NO7
Net Charge0
Average Mass489.609
Monoisotopic Mass489.27265
SMILESCO[C@H]1/C=C/CC/C=C/C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)CCCC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O
InChIInChI=1S/C27H39NO7/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/h7-8,12-14,17,19-20,22,26-27,33H,5-6,9-11,15-16H2,1-4H3,(H,28,30,31)/b12-7+,13-8+,18-14+/t17-,19-,22-,26-,27-/m0/s1
InChIKeyTYTDEHCAAKKYOG-FEJRZXFSSA-N
ChEBI Ontology
Outgoing Relation(s)
Isomigrastatin (CHEBI:80125) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
C00015180KNApSAcK
C15846KEGG COMPOUND