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CHEBI:213702 - Hapalosin

Default Structure
ChEBI IDCHEBI:213702
ChEBI NameHapalosin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H43NO6
Net Charge0
Average Mass489.653
Monoisotopic Mass489.30904
SMILESCCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]1C
InChIInChI=1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23+,24+,26-/m0/s1
InChIKeyNJNAHFYVTBZQHU-LFFUDGMSSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - DOI (10.1021/jo00103a011)
ChEBI Ontology
Outgoing Relation(s)
Hapalosin (CHEBI:213702) is a lactam (CHEBI:24995)
Hapalosin (CHEBI:213702) is a macrolide (CHEBI:25106)
IUPAC Name 
(2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
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