CHEBI:213702 - Hapalosin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hapalosin
ChEBI ID CHEBI:213702
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H43NO6
Net Charge 0
Average Mass 489.653
Monoisotopic Mass 489.30904
InChI InChI=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
InChIKey NJNAHFYVTBZQHU-LFFUDGMSSA-N
SMILES O=C1O[C@H](C(=O)N([C@H]([C@H](O)CC(O[C@@H]([C@@H]1C)CCCCCCC)=O)CC2=CC=CC=C2)C)C(C)C
Metabolite of Species Details
Hapalosiphon (NCBI:txid162985) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
117421 ChemSpider
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