[5,6-bis(oxidanyl)-1-oxidanylidene-4-phosphonooxy-2-(3-tetradecanoyloxytetradecanoylamino)hexan-3-yl] 3-oxidanyltetradecanoate

Systemtic Name: [5,6-bis(oxidanyl)-1-oxidanylidene-4-phosphonooxy-2-(3-tetradecanoyloxytetradecanoylamino)hexan-3-yl] 3-oxidanyltetradecanoate Openeye Name: [3,4-dihydroxy-1-[2-oxo-1-(3-tetradecanoyloxytetradecanoylamino)ethyl]-2-phosphonooxy-butyl] 3-hydroxytetradecanoate CAS Name: 3-hydroxytetradecanoic acid [5,6-dihydroxy-1-oxo-2-[[1-oxo-3-(1-oxotetradecoxy)tetradecyl]amino]-4-phosphonooxyhexan-3-yl] ester IUPAC Name: [5,6-dihydroxy-1-oxo-4-phosphonooxy-2-(3-tetradecanoyloxytetradecanoylamino)hexan-3-yl] 3-hydroxytetradecanoate Traditional Name: 3-hydroxymyristic acid [3,4-dihydroxy-1-[2-keto-1-(3-tetradecanoyloxytetradecanoylamino)ethyl]-2-phosphonooxy-butyl] ester Formula: C48H92NO13P MolecularWeight: 922.216741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC(C=O)C(C(C(CO)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC(C=O)C(C(C(CO)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O

InChI

InChI=1S/C48H92NO13P/c1-4-7-10-13-16-19-20-23-26-29-32-35-45(55)60-41(34-31-28-25-22-18-15-12-9-6-3)37-44(54)49-42(38-50)47(48(43(53)39-51)62-63(57,58)59)61-46(56)36-40(52)33-30-27-24-21-17-14-11-8-5-2/h38,40-43,47-48,51-53H,4-37,39H2,1-3H3,(H,49,54)(H2,57,58,59)