Molecule

Aspergillomarasmine A

AlkaPlorer ID: AK289482

Synonym: N-[2-(2-Amino-2-carboxyethyl)amino]-2-carboxyaspartic acid, Toxin C

IUPAC Name: 2-[[2-[(2-amino-2-carboxyethyl)amino]-2-carboxyethyl]amino]butanedioic acid

SMILES: NC(CNC(CNC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O

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

PubChem CID: 10267199

COCONUT: CNP0282205.2

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NPAtlas: NPA009236

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus oryzae	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Fusarium oxysporum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Pyrenophora teres	Pyrenophora	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Paecilomyces sp.	Paecilomyces	Thermoascaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus flavus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Colletotrichum gloeosporioides	Colletotrichum	Glomerellaceae	Glomerellales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 307.259

TPSA？: 199.28

MolLogP？: -3.041399999999996

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi