LIPID MAPS

Structure Database (LMSD)

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Common Name

Kdo2-Lipid IVA

Systematic Name

Kdo2-Lipid IVA

Synonyms

LM ID

LMSL02000003

Formula

C₈₄H₁₅₄N₂O₃₇P₂

Exact Mass

Calculate m/z

1844.970579

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Escherichia coli (#562)

Gammaproteobacteria (#1236)

Kdo2 -lipid A: structural diversity and impact on immunopharmacology.,
Biol Rev Camb Philos Soc, 2015

Pubmed ID: 24838025

String Representations

InChiKey (Click to copy)

XAOLJGCZESYRFT-ICVWGWAISA-N

InChi (Click to copy)

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

SMILES (Click to copy)

CCCCCCCCCCC[C@H](CC(=N[C@H]1C([C@@H](C(CO[C@H]2[C@H](C([C@@H](C(CO[C@@]3(C[C@H]([C@H](C([C@@H](CO)O)O3)O)O[C@@]3(CC([C@H](C([C@@H](CO)O)O3)O)O)C(=O)O)C(=O)O)O2)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)N=C(C[C@@H](CCCCCCCCCCC)O)O)O[C@@H]1OP(=O)(O)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)O