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CHEBI:204033 - JM47

ChEBI IDCHEBI:204033
ChEBI NameJM47
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34N4O6
Net Charge0
Average Mass438.525
Monoisotopic Mass438.24783
SMILESC[C@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O
InChIInChI=1S/C21H34N4O6/c1-12-18(28)22-13(2)19(29)24-15(8-5-4-6-10-17(27)14(3)26)21(31)25-11-7-9-16(25)20(30)23-12/h12-16,26H,4-11H2,1-3H3,(H,22,28)(H,23,30)(H,24,29)/t12-,13+,14-,15-,16+/m0/s1
InChIKeyLITDOSAZPRIJRA-XFIYOXNOSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1016/s0031-9422(02)00061-4)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
JM47 (CHEBI:204033) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6R,9S,12R)-3-[(7S)-7-hydroxy-6-oxooctyl]-6,9-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Manual XrefsDatabases
9114293ChemSpider