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Lc2Cer (d18:1, 22:0)

CAT: 0013-GTR19274150-01Size: 50 mgDry Ice: NoHazardous: No
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Description
Lc2Cer (d18:1, 22:0) is a lactosylceramide containing d18:1 and C22:0 ceramide. It is applicable in kidney cortical epithelial cell research.
CAS Number
111142-68-8
Smiles
O ([C@@H]1[C@@H] (CO) O[C@@H] (OC[C@H] (NC (CCCCCCCCCCCCCCCCCCCCC) =O) [C@@H] (/C=C/CCCCCCCCCCCCC) O) [C@H] (O) [C@H]1O) [C@@H]2O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]2O
Molecular Formula
C52H99NO13
Molecular Weight
946.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide

Beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-docosanoylsphingosine is a beta-D-galactosyl-(14)-beta-D-glucosyl-(11')-N-acylsphingosine in which the acyl group specified is docosanoyl. It has a role as a mouse metabolite. It is functionally related to a docosanoic acid.

CAS Number111142-68-8
PubChem CID52921641
IUPAC NameN-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]docosanamide
Molecular FormulaC52H99NO13
Molecular Weight946.3
XLogP12.4
Topological Polar Surface Area228
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count42
Heavy Atom Count66
Formal Charge0
Complexity1170
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1
InChIKey
QYWVASPEUXEHSY-NNRNTGNWSA-N
Chemical Structure
2D Structure
2D structure of N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
CAS: 111142-68-8
CID: 52921641
Formula: C52H99NO13
MW: 946.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight946.3
XLogP312.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count42
Exact Mass945.71164221
Monoisotopic Mass945.71164221
Topological Polar Surface Area228 Ų
Heavy Atom Count66
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-177888-01Lc2Cer (d18:1, 22:0)
HY-164236C22 Glucosylceramide (d18:1/22:0)
T36860C22 Sphingomyelin (d18:1/22:0)
MBS5798971C22 Galactosylceramide (d18:1/22:0)
T37563-01C22 Ceramide (d18:1/22:0)
HY-164236S-01C22 Glucosylceramide (d18:1/22:0) -d4
TN10851-01C22 Ceramide (d18:1 (14Z) /22:0)
HY-146932S-0122:1 SM (d18:1/22:1) -d9
HY-W923642-01Sphingomyelin (d18:1/12:0)
T206151-01GlcCer (d18:1/18:0)

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