2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxy-butanoic acid

Systemtic Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxy-butanoic acid Openeye Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxy-butanoic acid CAS Name: 2-[[(9E,12E,15E)-1-oxooctadeca-9,12,15-trienyl]amino]-3-phosphonooxybutanoic acid IUPAC Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxybutanoic acid Traditional Name: 2-[[(9E,12E,15E)-octadeca-9,12,15-trienoyl]amino]-3-phosphonooxy-butyric acid Formula: C22H38NO7P MolecularWeight: 459.513381

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCC(=O)NC(C(C)OP(=O)(O)O)C(=O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NC(C(C)OP(=O)(O)O)C(=O)O

InChI

InChI=1S/C22H38NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)23-21(22(25)26)19(2)30-31(27,28)29/h4-5,7-8,10-11,19,21H,3,6,9,12-18H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/b5-4+,8-7+,11-10+