(E)-2-azanyl-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-15-oxidanylidene-henicos-7-enoic acid

Systemtic Name: (E)-2-azanyl-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-15-oxidanylidene-henicos-7-enoic acid Openeye Name: (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-15-oxo-henicos-7-enoic acid CAS Name: (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-15-oxo-7-heneicosenoic acid IUPAC Name: (E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-15-oxohenicos-7-enoic acid Traditional Name: (E)-2-amino-3,4,5-trihydroxy-15-keto-2-methylol-heneicos-7-enoic acid Formula: C22H41NO7 MolecularWeight: 431.56344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCC=CCC(C(C(C(CO)(C(=O)O)N)O)O)O

Isomeric SMILES

CCCCCCC(=O)CCCCCC/C=C/CC(C(C(C(CO)(C(=O)O)N)O)O)O

InChI

InChI=1S/C22H41NO7/c1-2-3-4-10-13-17(25)14-11-8-6-5-7-9-12-15-18(26)19(27)20(28)22(23,16-24)21(29)30/h9,12,18-20,24,26-28H,2-8,10-11,13-16,23H2,1H3,(H,29,30)/b12-9+