Molecule

Aspergillomarasmine B

AlkaPlorer ID: AK289483

Synonym: N-[2-Carboxy-2-[(carboxymethyl)amino]ethyl]aspartic acid, Lycomarasmic acid, Angiostatin

IUPAC Name: 2-[[2-carboxy-2-(carboxymethylamino)ethyl]amino]butanedioic acid

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

InChI: InChI=1S/C9H14N2O8/c12-6(13)1-4(8(16)17)10-2-5(9(18)19)11-3-7(14)15/h4-5,10-11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)

InChIKey: FZCSTZYAHCUGEM-UHFFFAOYSA-N

PubChem CID: 10016380

COCONUT: CNP0145140.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus oryzae	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Verticillium	Plectosphaerellaceae	Glomerellales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
None	Nectria	Oreasteridae	Valvatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
Pyrenophora teres	Pyrenophora	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus flavus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 278.217

TPSA？: 173.26

MolLogP？: -2.368699999999998

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi