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CHEBI:144397 - Argiopinin I

ChEBI IDCHEBI:144397
ChEBI NameArgiopinin I
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DownloadsMolfile
FormulaC36H63N12O6
Net Charge+1
Average Mass759.978
Monoisotopic Mass759.49880
SMILESC[N+](C)(CCCCC(N)C(=O)NCCCCCNC(=O)C(CC(N)=O)NC(=O)Cc1cnc2cccc(O)c12)CCCNC(=O)C(N)CCCNC(=N)N
InChIInChI=1S/C36H62N12O6/c1-48(2,20-10-18-43-34(53)26(38)12-9-17-45-36(40)41)19-7-4-11-25(37)33(52)42-15-5-3-6-16-44-35(54)28(22-30(39)50)47-31(51)21-24-23-46-27-13-8-14-29(49)32(24)27/h8,13-14,23,25-26,28,46H,3-7,9-12,15-22,37-38H2,1-2H3,(H10-,39,40,41,42,43,44,45,47,49,50,51,52,53,54)/p+1
InChIKeyPASGEHUZOLMKLZ-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
Argiopinin I (CHEBI:144397) is a asparagine derivative (CHEBI:22654)
IUPAC Name 
[5-amino-6-[5-[[4-amino-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]-4-oxobutanoyl]amino]pentylamino]-6-oxohexyl]-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl]-dimethylazanium
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C20093KEGG COMPOUND