2-azanyl-3-oxidanyl-propanoic acid; (E)-4-oxidanylidene-4-[3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl]oxy-but-2-enoate

Systemtic Name: 2-azanyl-3-oxidanyl-propanoic acid; (E)-4-oxidanylidene-4-[3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl]oxy-but-2-enoate Openeye Name: 2-amino-3-hydroxy-propanoic acid; (E)-4-(1-formyl-2,3,4-trihydroxy-butoxy)-4-oxo-but-2-enoate CAS Name: 2-amino-3-hydroxypropanoic acid; (E)-4-oxo-4-(3,4,5-trihydroxy-1-oxopentan-2-yl)oxy-2-butenoate IUPAC Name: 2-amino-3-hydroxypropanoic acid; (E)-4-oxo-4-(3,4,5-trihydroxy-1-oxopentan-2-yl)oxybut-2-enoate Traditional Name: 2-amino-3-hydroxy-propionic acid; (E)-4-(1-formyl-2,3,4-trihydroxy-butoxy)-4-keto-but-2-enoate Formula: C12H18NO11- MolecularWeight: 352.27142

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C=O)OC(=O)C=CC(=O)[O-])O)O)O.C(C(C(=O)O)N)O

Isomeric SMILES

C(C(C(C(C=O)OC(=O)/C=C/C(=O)[O-])O)O)O.C(C(C(=O)O)N)O

InChI

InChI=1S/C9H12O8.C3H7NO3/c10-3-5(12)9(16)6(4-11)17-8(15)2-1-7(13)14;4-2(1-5)3(6)7/h1-2,4-6,9-10,12,16H,3H2,(H,13,14);2,5H,1,4H2,(H,6,7)/p-1/b2-1+;