LIPID MAPS

Structure Database (LMSD)

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Common Name

24-O-Desulfo-26-sulfooxysqualamine

Systematic Name

3β-N-1-(N-[3-(4-aminobutyl)]-1,3-diaminopropane)-7α,24R-dihydroxy-5α-cholestane 26-sulfate

Synonyms

LM ID

LMST05050060

Formula

C₃₄H₆₅N₃O₆S

Exact Mass

Calculate m/z

643.459409

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Squalus acanthias (#7797)

Chondrichthyes (#7777)

Aminosterols from the dogfish shark Squalus acanthias.,
J Nat Prod, 2000

Pubmed ID: 10843574

String Representations

InChiKey (Click to copy)

BBVHNXGALDVEEE-ASQRLLPJSA-N

InChi (Click to copy)

InChI=1S/C34H65N3O6S/c1-23(8-11-30(38)24(2)22-43-44(40,41)42)27-9-10-28-32-29(13-15-34(27,28)4)33(3)14-12-26(20-25(33)21-31(32)39)37-19-7-18-36-17-6-5-16-35/h23-32,36-39H,5-22,35H2,1-4H3,(H,40,41,42)/t23-,24?,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1

SMILES (Click to copy)

[C@]12([C@H](O)C[C@@]3([H])C[C@@H](NCCCNCCCCN)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC[C@@H](O)C(COS(=O)(=O)O)C)CC[C@@]21[H])[H]