Aspergillomarasmine A (CHEBI:180884)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Aspergillomarasmine A

ChEBI ID	CHEBI:180884

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H17N3O8

Net Charge

Average Mass

307.259

Monoisotopic Mass

307.10156

InChI

InChI=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)

InChIKey

XFTWUNOVBCHBJR-UHFFFAOYSA-N

SMILES

OC(=O)C(NCC(N)C(O)=O)CNC(CC(O)=O)C(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133).

ChEBI Ontology
Outgoing	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