CHEBI:204277 - Mangrovamide C

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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 Mangrovamide C
ChEBI ID CHEBI:204277
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H33N3O3
Net Charge 0
Average Mass 447.579
Monoisotopic Mass 447.25219
InChI InChI=1S/C27H33N3O3/c1-14-8-27-11-19-25(4,5)22-16(9-26(19,29-23(27)32)13-30(27)12-14)15-6-7-18-20(21(15)28-22)17(31)10-24(2,3)33-18/h6-7,14,19,28H,8-13H2,1-5H3,(H,29,32)/t14-,19+,26-,27+/m1/s1
InChIKey YWLUOKNUCHQDAC-DPEAJVMMSA-N
SMILES O=C1N[C@]23[C@H](C(C=4NC5=C(C4C2)C=CC6=C5C(=O)CC(O6)(C)C)(C)C)C[C@]17N(C[C@@H](C7)C)C3
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing Mangrovamide C (CHEBI:204277) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name
(1S,17S,19S,21R)-9,9,16,16,21-pentamethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12)-tetraene-11,26-dione
Manual Xref Database
32675151 ChemSpider
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