(2E,4E)-12-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phosphonooxy-propan-2-yl]amino]octadeca-2,4-dienoic acid

Systemtic Name: (2E,4E)-12-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phosphonooxy-propan-2-yl]amino]octadeca-2,4-dienoic acid Openeye Name: (2E,4E)-12-[[(1S)-2-hydroxy-2-oxo-1-(phosphonooxymethyl)ethyl]amino]octadeca-2,4-dienoic acid CAS Name: (2E,4E)-12-[[(2S)-1-hydroxy-1-oxo-3-phosphonooxypropan-2-yl]amino]octadeca-2,4-dienoic acid IUPAC Name: (2E,4E)-12-[[(2S)-1-hydroxy-1-oxo-3-phosphonooxypropan-2-yl]amino]octadeca-2,4-dienoic acid Traditional Name: (2E,4E)-12-[[(1S)-2-hydroxy-2-keto-1-(phosphonooxymethyl)ethyl]amino]octadeca-2,4-dienoic acid Formula: C21H38NO8P MolecularWeight: 463.502081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCC=CC=CC(=O)O)NC(COP(=O)(O)O)C(=O)O

Isomeric SMILES

CCCCCCC(CCCCCC/C=C/C=C/C(=O)O)N[C@@H](COP(=O)(O)O)C(=O)O

InChI

InChI=1S/C21H38NO8P/c1-2-3-4-11-14-18(22-19(21(25)26)17-30-31(27,28)29)15-12-9-7-5-6-8-10-13-16-20(23)24/h8,10,13,16,18-19,22H,2-7,9,11-12,14-15,17H2,1H3,(H,23,24)(H,25,26)(H2,27,28,29)/b10-8+,16-13+/t18?,19-/m0/s1