Identification
| Name |
3-Deoxy-D-manno-2-octulosonic acid(2)-lipid iva |
|---|
| Synonyms |
(2R,4R,5R,6R)-4-[(2R,4R,5R,6R)-2-Carboxy-6-[(1R)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-6-[(1R)-1,2-Dihydroxyethyl]-5-Hydroxy-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-Hydroxy-5-[[(3R)-3-Hydroxytetradecanoyl]Amino]-4-[(3R)-3-Hydroxytetradecanoyl]Oxy-6-Phosphonooxy-Tetrahydropyran-2-Yl]Methoxy]-5-[[(3R)-3-Hydroxytetradecanoyl]Amino]-4-[(3R)-3-Hydroxytetradecanoyl]Oxy-3-Phosphonooxy-Tetrahydropyran-2-Yl]Methoxy]Tetrahydropyran-2-Carboxylic Acid; (2R,4R,5R,6R)-4-[[(2R,4R,5R,6R)-2-Carboxy-6-[(1R)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-2-Tetrahydropyranyl]Oxy]-6-[(1R)-1,2-Dihydroxyethyl]-5-Hydroxy-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-Hydroxy-4-[(3R)-3-Hydroxy-1-Oxotetradecoxy]-5-[[(3R)-3-Hydroxy-1-Oxotetradecyl]Amino]-6-Phosphonooxy-2-Tetrahydropyranyl]Methoxy]-4-[(3R)-3-Hydroxy-1-Oxotetradecoxy]-5-[[(3R)-3-Hydroxy-1-Oxotetradecyl]Amino]-3-Phosphonooxy-2-Tetrahydropyranyl]Methoxy]-2-Tetrahydropyrancarboxylic Acid; (2R,4R,5R,6R)-4-[(2R,4R,5R,6R)-2-Carboxy-6-[(1R)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-Oxan-2-Yl]Oxy-6-[(1R)-1,2-Dihydroxyethyl]-5-Hydroxy-2-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-Hydroxy-5-[[(3R)-3-Hydroxytetradecanoyl]Amino]-4-[(3R)-3-Hydroxytetradecanoyl]Oxy-6-Phosphonooxy-Oxan-2-Yl]Methoxy]-5-[[(3R)-3-Hydroxytetradecanoyl]Amino]-4-[(3R)-3-Hydroxytetradecanoyl]Oxy-3-Phosphonooxy-Oxan-2-Yl]Methoxy]Oxane-2-Carboxylic Acid |
|
| Molecular Structure |
 |
| Molecular Formula |
C84H154N2O37P2 |
| Molecular Weight |
1846.08 |
| CAS Registry Number |
143600-83-3 |
| SMILES |
[C@@]1(O[C@@H]([C@@H]([C@@H](C1)O)O)[C@@H](CO)O)(C(O)=O)O[C@H]2[C@H]([C@H](O[C@@](C2)(OC[C@@H]4[C@H]([C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](NC(C[C@H](O)CCCCCCCCCCC)=O)[C@H](OC[C@H]3O[C@@H]([C@@H]([C@H]([C@@H]3O)OC(=O)C[C@H](O)CCCCCCCCCCC)NC(C[C@H](O)CCCCCCCCCCC)=O)O[P](O)(=O)O)O4)O[P](O)(=O)O)C(O)=O)[C@@H](CO)O)O |
| InChI |
1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1 |
| InChIKey |
XAOLJGCZESYRFT-VHSKNIDJSA-N |
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