CHEBI:212680 - Amantelide A

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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 Amantelide A
ChEBI ID CHEBI:212680
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H84O11
Net Charge 0
Average Mass 789.145
Monoisotopic Mass 788.60136
InChI InChI=1S/C44H84O11/c1-32-13-5-26-39(51)30-40(52)27-11-24-37(49)22-9-20-35(47)18-7-16-33(45)14-6-15-34(46)17-8-19-36(48)21-10-23-38(50)25-12-28-41(53)31-42(44(2,3)4)55-43(54)29-32/h29,33-42,45-53H,5-28,30-31H2,1-4H3/t33?,34?,35?,36?,37?,38?,39-,40+,41?,42?/m0/s1
InChIKey KOLKKRHAEDKYEF-REPDDWJWSA-N
SMILES O=C1OC(C(C)(C)C)CC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(O)CCCC(CCCC(CCC[C@H](C[C@H](CCCC(=C1)C)O)O)O)O
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
ChEBI Ontology
Outgoing Amantelide A (CHEBI:212680) is a macrolide (CHEBI:25106)
IUPAC Name
(8S,10R)-40-tert-butyl-8,10,14,18,22,26,30,34,38-nonahydroxy-4-methyl-1-oxacyclotetracont-3-en-2-one