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CHEBI:219032 - Haenamindole

Default Structure
ChEBI IDCHEBI:219032
ChEBI NameHaenamindole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36N4O4
Net Charge0
Average Mass516.642
Monoisotopic Mass516.27366
SMILESC[C@@]1(C[C@@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N2O)c2ccccc2N2C(=O)C[C@@H](c3ccccc3)N[C@H]21
InChIInChI=1S/C30H36N4O4/c1-30(18-25-27(36)31-23(28(37)34(25)38)16-19-10-4-2-5-11-19)21-14-8-9-15-24(21)33-26(35)17-22(32-29(30)33)20-12-6-3-7-13-20/h3,6-9,12-15,19,22-23,25,29,32,38H,2,4-5,10-11,16-18H2,1H3,(H,31,36)/t22-,23-,25+,29+,30+/m0/s1
InChIKeySYRKXVJXAYRATF-OEBFQYBYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26403931)
ChEBI Ontology
Outgoing Relation(s)
Haenamindole (CHEBI:219032) has functional parent β-amino acid (CHEBI:33706)
Haenamindole (CHEBI:219032) is a organonitrogen compound (CHEBI:35352)
Haenamindole (CHEBI:219032) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R)-6-[[(2S,10R,10aR)-10-methyl-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl]methyl]-3-(cyclohexylmethyl)-1-hydroxypiperazine-2,5-dione
Manual XrefsDatabases
78439865ChemSpider