Aspergillomarasmine a
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Formula: C10H17N3O8
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Molecular weight: 307.26
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Smiles: C(C(C(=O)O)NCC(C(=O)O)NCC(C(=O)O)N)C(=O)O
Aspergillomarasmine a
Names
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Mycotoxin name: Aspergillomarasmine a
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First synonym: Aspergillomarasmine a
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Synonyms: Aspergillomarasmine A,Toxin C,2-({2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl}amino)butanedioic acid,2-[[2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl]amino]butanedioic acid,Toxin C (Pyrenophora teres),3484-65-9,SCHEMBL18789475,CHEBI:180884,N-[2-(2-Amino-2-carboxyethyl)amino]-2-carboxyaspartic acid, 9CI
Identifiers / External links
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CAS: 3484-65-9
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PubChem CID: 10267199
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ChemSpiderID: 170641
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ChEMBL: CHEMBL18789475
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Chemical Entities of Biological Interest (CHEBI): CHEBI:180884
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SCHEMBL: SCHEMBL18789475
Structure
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Smiles: C(C(C(=O)O)NCC(C(=O)O)NCC(C(=O)O)N)C(=O)O
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Isomeric smiles: C(C(C(=O)O)NCC(C(=O)O)NCC(C(=O)O)N)C(=O)O
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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)
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Inchikey: XFTWUNOVBCHBJR-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C10H17N3O8
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Molecular weight: 307.26
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Monoisotopic mass: 307.10156451
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Fungi
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Fungi id Species 125 Aspergillus flavus