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CHEBI:202708 - Metatacarboline B

ChEBI IDCHEBI:202708
ChEBI NameMetatacarboline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27N5O7
Net Charge0
Average Mass509.519
Monoisotopic Mass509.19105
SMILESNC(=O)CC[C@H](NC(=O)c1cc2c(nc3ccccc32)c(CCC(=O)N2CCC[C@H]2C(=O)O)n1)C(=O)O
InChIInChI=1S/C25H27N5O7/c26-20(31)9-7-17(24(34)35)29-23(33)18-12-14-13-4-1-2-5-15(13)28-22(14)16(27-18)8-10-21(32)30-11-3-6-19(30)25(36)37/h1-2,4-5,12,17,19,28H,3,6-11H2,(H2,26,31)(H,29,33)(H,34,35)(H,36,37)/t17-,19-/m0/s1
InChIKeyUOPJGWVZRMXEJR-HKUYNNGSSA-N
Species of MetaboliteComponentSourceComments
Mycena metata (ncbitaxon:1033252) - PubMed (23330951)
ChEBI Ontology
Outgoing Relation(s)
Metatacarboline B (CHEBI:202708) is a glutamine derivative (CHEBI:70813)
IUPAC Name 
(2S)-1-[3-[3-[[(1S)-4-amino-1-carboxy-4-oxobutyl]carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid
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78436906ChemSpider