CHEBI:221978 - Hapalosin G

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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 G
ChEBI ID CHEBI:221978
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H39NO6
Net Charge 0
Average Mass 461.599
Monoisotopic Mass 461.27774
InChI InChI=1S/C26H39NO6/c1-5-6-7-8-12-15-23-18(2)26(31)32-19(3)25(30)27(4)21(22(28)17-24(29)33-23)16-20-13-10-9-11-14-20/h9-11,13-14,18-19,21-23,28H,5-8,12,15-17H2,1-4H3/t18-,19-,21-,22+,23+/m0/s1
InChIKey LMKYKYILQNHPKH-PXVQWCDCSA-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
Metabolite of Species Details
Fischerellaspecies PCC 9431 (NCBI:txid1173023) See: PubMed
ChEBI Ontology
Outgoing Hapalosin G (CHEBI:221978) is a lactam (CHEBI:24995)
Hapalosin G (CHEBI:221978) is a macrolide (CHEBI:25106)
IUPAC Name
(2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-2,4,11-trimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
Manual Xref Database
23108419 ChemSpider
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