LIPID MAPS

Structure Database (LMSD)

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Common Name

LacCer(d18:0/18:0)

Systematic Name

N-(octadecanoyl)-1-β-lactosyl-sphinganine

Synonyms

C18 DHLactosylceramide
C18 DHLacCer

LM ID

LMSP0501AB15

Formula

C₄₈H₉₃NO₁₃

Exact Mass

Calculate m/z

891.664694

Sum Composition

Hex2Cer 36:0;O2

Abbrev Chains

LacCer 18:0;O2/18:0

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

PZGGVRFULLAFKR-HCABBPDASA-N

InChi (Click to copy)

InChI=1S/C48H93NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h36-39,41-48,50-52,54-58H,3-35H2,1-2H3,(H,49,53)/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1

SMILES (Click to copy)

[C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@@H](CO)O1)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC