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CHEBI:225982 - Icosalide B

ChEBI IDCHEBI:225982
ChEBI NameIcosalide B
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FormulaC34H60N4O10
Net Charge0
Average Mass684.872
Monoisotopic Mass684.43094
SMILESCCCCCC1CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC(CCCCC)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O1
InChIInChI=1S/C34H60N4O10/c1-7-9-11-13-23-17-29(41)35-25(15-21(3)4)31(43)38-28(20-40)34(46)48-24(14-12-10-8-2)18-30(42)36-27(19-39)32(44)37-26(16-22(5)6)33(45)47-23/h21-28,39-40H,7-20H2,1-6H3,(H,35,41)(H,36,42)(H,37,44)(H,38,43)/t23?,24?,25-,26-,27-,28-/m0/s1
InChIKeyHZQBTVDHJQJQOP-AVTNHXHSSA-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 B (CHEBI:225982) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,13S,16S)-3,16-bis(hydroxymethyl)-6,13-bis(2-methylpropyl)-10,20-dipentyl-1,11-dioxa-4,7,14,17-tetrazacycloicosane-2,5,8,12,15,18-hexone
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