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CHEBI:215028 - Circinamide

ChEBI IDCHEBI:215028
ChEBI NameCircinamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34N4O5
Net Charge0
Average Mass386.493
Monoisotopic Mass386.25292
SMILESCC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)N(CCCCN)CCCCN
InChIInChI=1S/C18H34N4O5/c1-12(2)11-13(21-16(23)14-15(27-14)18(25)26)17(24)22(9-5-3-7-19)10-6-4-8-20/h12-15H,3-11,19-20H2,1-2H3,(H,21,23)(H,25,26)/t13-,14-,15-/m0/s1
InChIKeyQQVXQLBKFHMJOV-KKUMJFAQSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(97)00285-8)
ChEBI Ontology
Outgoing Relation(s)
Circinamide (CHEBI:215028) is a leucine derivative (CHEBI:47003)
IUPAC Name 
(2S,3S)-3-[[(2S)-1-[bis(4-aminobutyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Manual XrefsDatabases
10232744ChemSpider