CHEBI:212633 - Torrubiellutin 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 Torrubiellutin A
ChEBI ID CHEBI:212633
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H37NO5
Net Charge 0
Average Mass 443.584
Monoisotopic Mass 443.26717
InChI InChI=1S/C26H37NO5/c1-16-12-13-23(28)27(6)22(15-21-10-8-7-9-11-21)26(31)32-20(5)19(4)25(30)18(3)14-17(2)24(16)29/h7-14,16,18-20,22,24-25,29-30H,15H2,1-6H3/b13-12-,17-14-/t16-,18+,19+,20+,22+,24+,25-/m1/s1
InChIKey SQRHAWJNRYYSGK-AVTCJIJOSA-N
SMILES O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](O)[C@H](C=C([C@H]([C@@H](C=C1)C)O)C)C)C)C)CC2=CC=CC=C2)C
Metabolite of Species Details
Torrubiella (NCBI:txid153665) See: DOI
ChEBI Ontology
Outgoing Torrubiellutin A (CHEBI:212633) is a lactam (CHEBI:24995)
Torrubiellutin A (CHEBI:212633) is a macrolide (CHEBI:25106)
IUPAC Name
(3S,6E,8R,9S,10Z,12S,13R,14R,15S)-3-benzyl-9,13-dihydroxy-4,8,10,12,14,15-hexamethyl-1-oxa-4-azacyclopentadeca-6,10-diene-2,5-dione