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CHEBI:213262 - TAN-1057C

Default Structure
ChEBI IDCHEBI:213262
ChEBI NameTAN-1057C
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SubmitterMetaboLights
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FormulaC13H25N9O3
Net Charge0
Average Mass355.403
Monoisotopic Mass355.20804
SMILESCN1C(=O)CC(CCCN=C(N)N)NC(=O)[C@H]1CN=C(N)NC(N)=O
InChIInChI=1S/C13H25N9O3/c1-22-8(6-19-12(16)21-13(17)25)10(24)20-7(5-9(22)23)3-2-4-18-11(14)15/h7-8H,2-6H2,1H3,(H,20,24)(H4,14,15,18)(H5,16,17,19,21,25)/t7?,8-/m1/s1
InChIKeyWXDPPHZLBSPZOA-BRFYHDHCSA-N
ChEBI Ontology
Outgoing Relation(s)
TAN-1057C (CHEBI:213262) has functional parent β-amino acid (CHEBI:33706)
TAN-1057C (CHEBI:213262) is a organonitrogen compound (CHEBI:35352)
TAN-1057C (CHEBI:213262) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[N'-[[(2R)-5-[3-(diaminomethylideneamino)propyl]-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl]carbamimidoyl]urea
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78438564ChemSpider