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CHEBI:180884 - Aspergillomarasmine A

ChEBI IDCHEBI:180884
ChEBI NameAspergillomarasmine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N3O8
Net Charge0
Average Mass307.259
Monoisotopic Mass307.10156
SMILESNC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyXFTWUNOVBCHBJR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Aspergillomarasmine A (CHEBI:180884) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
2-[[2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl]amino]butanedioic acid
Manual XrefsDatabases
8442678ChemSpider
HMDB0029450HMDB