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CHEBI:222032 - Icosalide A2

ChEBI IDCHEBI:222032
ChEBI NameIcosalide A2
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FormulaC36H64N4O10
Net Charge0
Average Mass712.926
Monoisotopic Mass712.46224
SMILESCCCCCCCC1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)OC(CCCCC)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O1
InChIInChI=1S/C36H64N4O10/c1-7-9-11-12-14-16-26-19-31(43)37-27(17-23(3)4)33(45)40-30(22-42)36(48)50-25(15-13-10-8-2)20-32(44)38-29(21-41)34(46)39-28(18-24(5)6)35(47)49-26/h23-30,41-42H,7-22H2,1-6H3,(H,37,43)(H,38,44)(H,39,46)(H,40,45)/t25?,26?,27-,28-,29-,30-/m0/s1
InChIKeyKYSBYORKWPJTOG-BUYIKJGESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Icosalide A2 (CHEBI:222032) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,13S,16S)-10-heptyl-3,16-bis(hydroxymethyl)-6,13-bis(2-methylpropyl)-20-pentyl-1,11-dioxa-4,7,14,17-tetrazacycloicosane-2,5,8,12,15,18-hexone
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