LIPID MAPS

Structure Database (LMSD)

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Common Name

Salmonella minnesota lipid A

Systematic Name

Synonyms

LM ID

LMSL01060005

Formula

C₉₀H₁₇₀N₂O₂₄P₂

Exact Mass

Calculate m/z

1725.161884

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Salmonella enterica subsp. enterica serovar Minnesota (#70803)

Gammaproteobacteria (#1236)

The Role of Carbohydrates in the Lipopolysaccharide (LPS)/Toll-Like Receptor 4 (TLR4) Signalling.,
Int J Mol Sci, 2017

Pubmed ID: 29099761

DOI: 10.3390/ijms18112318

String Representations

InChiKey (Click to copy)

HXVRVSVHBHBYLE-DGVVCEBYSA-N

InChi (Click to copy)

InChI=1S/C90H170N2O24P2/c1-7-13-19-25-31-37-43-49-55-61-72(109-79(96)64-58-52-46-40-34-28-22-16-10-4)67-77(94)91-83-86(101)85(100)76(113-90(83)116-118(105,106)107)71-108-89-84(92-78(95)68-73(62-56-50-44-38-32-26-20-14-8-2)110-80(97)65-59-53-47-41-35-29-23-17-11-5)88(87(75(70-93)112-89)115-117(102,103)104)114-82(99)69-74(63-57-51-45-39-33-27-21-15-9-3)111-81(98)66-60-54-48-42-36-30-24-18-12-6/h72-76,83-90,93,100-101H,7-71H2,1-6H3,(H,91,94)(H,92,95)(H2,102,103,104)(H2,105,106,107)/t72-,73-,74-,75-,76-,83-,84-,85-,86-,87-,88-,89-,90-/m1/s1

SMILES (Click to copy)

O(P(O)(=O)O)[C@@H]1[C@H](NC(=O)C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](NC(=O)C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)[C@H](OP(O)(O)=O)[C@@H](CO)O2)O1