(E)-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-14-oxidanylidene-icos-6-enoic acid

Systemtic Name: (E)-2-azanyl-2-(hydroxymethyl)-3-oxidanyl-14-oxidanylidene-icos-6-enoic acid Openeye Name: (E)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-icos-6-enoic acid CAS Name: (E)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid IUPAC Name: (E)-2-amino-3-hydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid Traditional Name: (E)-2-amino-3-hydroxy-14-keto-2-methylol-eicos-6-enoic acid Formula: C21H39NO5 MolecularWeight: 385.53806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39NO5/c1-2-3-4-11-14-18(24)15-12-9-7-5-6-8-10-13-16-19(25)21(22,17-23)20(26)27/h8,10,19,23,25H,2-7,9,11-17,22H2,1H3,(H,26,27)/b10-8+