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CHEBI:141613 - hapalindole U

Default Structure
ChEBI IDCHEBI:141613
ChEBI Namehapalindole U
Stars
DefinitionA hapalindole that is hapalindole H in which the octahydronaphthalene ring junction carbons both have S configuration instead of R.
Last Modified20 August 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H24N2
Net Charge0
Average Mass304.437
Monoisotopic Mass304.19395
SMILES[H][C@@]12c3cnc4cccc(c34)C(C)(C)[C@@]1([H])CC[C@](C)(C=C)[C@@H]2[N+]#[C-]
InChIInChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1
InChIKeySLUFHMQYBPOTFZ-ZRRCRCOKSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon delicatulus (ncbitaxon:210996) - PubMed (9784177) UH isolate IC-13-1
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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)
hapalindole U (CHEBI:141613) is a hapalindole (CHEBI:141617)
hapalindole U (CHEBI:141613) is a isocyanide (CHEBI:35353)
hapalindole U (CHEBI:141613) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
(6aS,9R,10R,10aS)-10-isocyano-6,6,9-trimethyl-9-vinyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole
UniProt Name  Source
hapalindole UUniProt
Manual XrefsDatabases
C00027101KNApSAcK
CPD-20791MetaCyc
Registry NumbersSources
CAS:106928-30-7KNApSAcK
CAS:106928-30-7PubChem Compound
Citations