(E)-2-azanyl-2-(hydroxymethyl)-3,4-bis(oxidanyl)icos-6-enoic acid

Systemtic Name: (E)-2-azanyl-2-(hydroxymethyl)-3,4-bis(oxidanyl)icos-6-enoic acid Openeye Name: (E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)icos-6-enoic acid CAS Name: (E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-6-eicosenoic acid IUPAC Name: (E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)icos-6-enoic acid Traditional Name: (E)-2-amino-3,4-dihydroxy-2-methylol-eicos-6-enoic acid Formula: C21H41NO5 MolecularWeight: 387.55394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC(C(C(CO)(C(=O)O)N)O)O

InChI

InChI=1S/C21H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(24)19(25)21(22,17-23)20(26)27/h14-15,18-19,23-25H,2-13,16-17,22H2,1H3,(H,26,27)/b15-14+