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CHEBI:216791 - Subtipyrroline B

ChEBI IDCHEBI:216791
ChEBI NameSubtipyrroline B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17N3O4
Net Charge0
Average Mass303.318
Monoisotopic Mass303.12191
SMILESCC(=O)[C@@](C)(O)c1cc2nc3c(c2n1)C[C@@H](C(=O)O)N=C3C
InChIInChI=1S/C15H17N3O4/c1-6-12-8(4-10(16-6)14(20)21)13-9(17-12)5-11(18-13)15(3,22)7(2)19/h5,10,17-18,22H,4H2,1-3H3,(H,20,21)/t10-,15+/m0/s1
InChIKeyPIEPUAXEBMRIQE-ZUZCIYMTSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.1016/j.tet.2020.131516)
ChEBI Ontology
Outgoing Relation(s)
Subtipyrroline B (CHEBI:216791) has functional parent α-amino acid (CHEBI:33704)
Subtipyrroline B (CHEBI:216791) is a organonitrogen compound (CHEBI:35352)
Subtipyrroline B (CHEBI:216791) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(11S)-4-[(2S)-2-hydroxy-3-oxobutan-2-yl]-9-methyl-3,7,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9-tetraene-11-carboxylic acid
Manual XrefsDatabases
101935347ChemSpider