(E)-17-azanyl-5-(hydroxymethyl)-5-oxidanyl-17-oxidanylidene-2-pentadecyl-heptadec-2-enoic acid

Systemtic Name: (E)-17-azanyl-5-(hydroxymethyl)-5-oxidanyl-17-oxidanylidene-2-pentadecyl-heptadec-2-enoic acid Openeye Name: (E)-17-amino-5-hydroxy-5-(hydroxymethyl)-17-oxo-2-pentadecyl-heptadec-2-enoic acid CAS Name: (E)-17-amino-5-hydroxy-5-(hydroxymethyl)-17-oxo-2-pentadecyl-2-heptadecenoic acid IUPAC Name: (E)-17-amino-5-hydroxy-5-(hydroxymethyl)-17-oxo-2-pentadecylheptadec-2-enoic acid Traditional Name: (E)-17-amino-5-hydroxy-17-keto-5-methylol-2-pentadecyl-heptadec-2-enoic acid Formula: C33H63NO5 MolecularWeight: 553.85702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=CCC(CCCCCCCCCCCC(=O)N)(CO)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C(=C\CC(CCCCCCCCCCCC(=O)N)(CO)O)/C(=O)O

InChI

InChI=1S/C33H63NO5/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-30(32(37)38)26-28-33(39,29-35)27-23-20-17-14-11-13-16-19-22-25-31(34)36/h26,35,39H,2-25,27-29H2,1H3,(H2,34,36)(H,37,38)/b30-26+