[1-[[(2R,3R,4R,5R)-5,6-bis(oxidanyl)-1-oxidanylidene-4-phosphonooxy-3-tetradecanoyloxy-hexan-2-yl]amino]-1-oxidanylidene-tetradecan-3-yl] tetradecanoate

Systemtic Name: [1-[[(2R,3R,4R,5R)-5,6-bis(oxidanyl)-1-oxidanylidene-4-phosphonooxy-3-tetradecanoyloxy-hexan-2-yl]amino]-1-oxidanylidene-tetradecan-3-yl] tetradecanoate Openeye Name: 1-[2-[[(1R,2R,3R,4R)-1-formyl-4,5-dihydroxy-3-phosphonooxy-2-tetradecanoyloxy-pentyl]amino]-2-oxo-ethyl]dodecyl tetradecanoate CAS Name: tetradecanoic acid [1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-(1-oxotetradecoxy)-4-phosphonooxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] ester IUPAC Name: [1-[[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-phosphonooxy-3-tetradecanoyloxyhexan-2-yl]amino]-1-oxotetradecan-3-yl] tetradecanoate Traditional Name: myristic acid 1-[2-[[(1R,2R,3R,4R)-1-formyl-4,5-dihydroxy-3-phosphonooxy-2-tetradecanoyloxy-pentyl]amino]-2-keto-ethyl]dodecyl ester Formula: C48H92NO12P MolecularWeight: 906.217341

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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)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)O[C@H]([C@H](C=O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]([C@@H](CO)O)OP(=O)(O)O

InChI

InChI=1S/C48H92NO12P/c1-4-7-10-13-16-19-21-24-27-30-33-36-45(54)59-41(35-32-29-26-23-18-15-12-9-6-3)38-44(53)49-42(39-50)47(48(43(52)40-51)61-62(56,57)58)60-46(55)37-34-31-28-25-22-20-17-14-11-8-5-2/h39,41-43,47-48,51-52H,4-38,40H2,1-3H3,(H,49,53)(H2,56,57,58)/t41?,42-,43+,47+,48+/m0/s1