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CHEBI:145686 - notoamide D

ChEBI IDCHEBI:145686
ChEBI Namenotoamide D
Stars
DefinitionAn organic heterohexacyclic compound isolated from a mussel-derived Aspergillus species that is 3,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[2,3-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione which is substituted by two methyl groups at position 3, a hydroxy group at the 6b position, and a 2-methylbut-3-en-2-yl group at the 14a position (the 6bR, 7aS, 12aS, 14aS stereoisomer).
Last Modified6 January 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H31N3O4
Net Charge0
Average Mass449.551
Monoisotopic Mass449.23146
SMILES[H][C@@]12CCCN1C(=O)[C@]1([H])C[C@@]3(O)c4ccc5c(c4N[C@@]3(C(C)(C)C=C)N1C2=O)C=CC(C)(C)O5
InChIInChI=1S/C26H31N3O4/c1-6-23(2,3)26-25(32,14-18-21(30)28-13-7-8-17(28)22(31)29(18)26)16-9-10-19-15(20(16)27-26)11-12-24(4,5)33-19/h6,9-12,17-18,27,32H,1,7-8,13-14H2,2-5H3/t17-,18-,25+,26-/m0/s1
InChIKeyZPTMKNVJQZMLNE-SSQYTKQRSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
mycotoxin  Poisonous substance produced by fungi.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
notoamide D (CHEBI:145686) has role mycotoxin (CHEBI:25442)
notoamide D (CHEBI:145686) is a aminal (CHEBI:35412)
notoamide D (CHEBI:145686) is a dipeptide (CHEBI:46761)
notoamide D (CHEBI:145686) is a notoamide (CHEBI:145690)
notoamide D (CHEBI:145686) is a organic heterohexacyclic compound (CHEBI:51914)
IUPAC Name 
(6bR,7aS,12aS,14aS)-6b-hydroxy-3,3-dimethyl-14a-(2-methylbut-3-en-2-yl)-3,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[2,3-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione
Synonym  Source
(−)-notoamide DKNApSAcK
UniProt Name  Source
notoamide DUniProt
Manual XrefsDatabases
CPD-17361MetaCyc
C00039874KNApSAcK
Registry NumbersSources
CAS:937251-98-4KNApSAcK
Citations