[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[[(2S)-2-[(2R)-2-azanylpropanoyl]oxy-3-[[(2S)-2-[(2R)-2-azanylpropanoyl]oxy-3-[[(2S)-2-[(2R)-2-azanylpropanoyl]oxy-3-[[(2S)-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propoxy]-oxidanyl-phosphoryl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate

Systemtic Name: [3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[[(2S)-2-[(2R)-2-azanylpropanoyl]oxy-3-[[(2S)-2-[(2R)-2-azanylpropanoyl]oxy-3-[[(2S)-2-[(2R)-2-azanylpropanoyl]oxy-3-[[(2S)-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propoxy]-oxidanyl-phosphoryl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate Openeye Name: [3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-propoxy]-hydroxy-phosphoryl]oxy-propoxy]-hydroxy-phosphoryl]oxy-propoxy]-hydroxy-phosphoryl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate CAS Name: tetradecanoic acid [3-[[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[[(2S)-2-[(2R)-2-amino-1-oxopropoxy]-3-[[(2S)-2-[(2R)-2-amino-1-oxopropoxy]-3-[[(2S)-2-[(2R)-2-amino-1-oxopropoxy]-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-2-(1-oxotetradecoxy)propyl] ester IUPAC Name: [3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-tetradecanoyloxypropyl] tetradecanoate Traditional Name: myristic acid [3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-[[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2-[(2R)-2-aminopropanoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-propoxy]-hydroxy-phosphoryl]oxy-propoxy]-hydroxy-phosphoryl]oxy-propoxy]-hydroxy-phosphoryl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-tetradecanoyloxy-propyl] ester Formula: C64H123N3O38P4 MolecularWeight: 1666.553764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)COP(=O)(O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)C(C)N)OC(=O)C(C)N)OC(=O)C(C)N)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)[C@@H](C)N)OC(=O)[C@@H](C)N)OC(=O)[C@@H](C)N)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C64H123N3O38P4/c1-6-8-10-12-14-16-18-20-22-24-26-28-52(70)89-32-46(100-53(71)29-27-25-23-21-19-17-15-13-11-9-7-2)33-90-63-58(76)56(74)54(72)50(104-63)40-91-64-59(77)57(75)55(73)51(105-64)41-99-109(87,88)98-39-49(103-62(80)44(5)67)38-97-108(85,86)96-37-48(102-61(79)43(4)66)36-95-107(83,84)94-35-47(101-60(78)42(3)65)34-93-106(81,82)92-31-45(69)30-68/h42-51,54-59,63-64,68-69,72-77H,6-41,65-67H2,1-5H3,(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t42-,43-,44-,45+,46?,47+,48+,49+,50-,51-,54-,55-,56+,57+,58-,59-,63-,64-/m1/s1