CHEBI:80125 - Isomigrastatin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isomigrastatin
ChEBI ID CHEBI:80125
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H39NO7
Net Charge 0
Average Mass 489.60110
Monoisotopic Mass 489.27265
InChI InChI=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
InChIKey TYTDEHCAAKKYOG-FEJRZXFSSA-N
SMILES CO[C@H]1\C=C\CC\C=C\C(=O)O[C@H]([C@@H](C)[C@@H]1O)C(\C)=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1
ChEBI Ontology
Outgoing Isomigrastatin (CHEBI:80125) is a macrolide (CHEBI:25106)
Manual Xrefs Databases
C00015180 KNApSAcK
C15846 KEGG COMPOUND
View more database links