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1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine

Properties

Image

Occurences in reactions

MNX_ID

MNXM32455

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₂H₈₁NO₁₁S

charge

mass

807.55303

reference

chebi:45644

InChIKey

GQQZXRPXBDJABR-BDZNYNMQSA-N

InChI

InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40+,41-,42+/m0/s1

SMILES

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:45644 chebi:45644	1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine C18:0-sulfatide N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}octadecanamide
lipidmaps:LMSP06020001 lipidmapsM:LMSP06020001	(3'-sulfo)Galbeta-Cer(d18:1/18:0) C18 Sulfatide N-octadecanoyl-1-beta-(3'-sulfo)-glucosyl-sphing-4-enine O2 SHexCer 36:1
CHEBI:132301 chebi:132301	1-(3-O-sulfo-beta-D-galactosyl)-N-octadecanoylsphing-4-enine (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 3-O-sulfonato-beta-D-galactopyranoside 1-(3-O-sulfo-beta-D-galactosyl)-N-octadecanoylsphingosine(1-) 1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphing-4-enine(1-) 1-(3-O-sulfo-beta-D-galactosyl)-N-stearoylsphingosine(1-) C18:0 sulfatide(1-)
hmdb:HMDB0012314	3-O-Sulfogalactosylceramide (d18:1/18:0) (3'-SulphO)galbeta-cer(D18:1/18:0) 3'-O-Sulphogalactosylceramide 3-O-SulfO-beta-D-galactosylceramide 3-O-SulfO-beta-delta-galactosylceramide 3-O-Sulfogalactosylceramide 3-O-Sulphogalactosylceramide (D18:1/18:0) C18 sulfatide Cerebroside 3-sulfate Cerebroside 3-sulphate Galactosylceramide-sulfate Galactosylceramide-sulphate Galactosylceramidesulfate Galactosylceramidesulphate N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfO-b-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-octadecanamide N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfO-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-octadecanamide Sulfatide Sulfatide (D18:1/18:0) [(2R,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid [R-[R,s-(e)]]-N-[2-hydroxy-1-[[(3-O-sulfO-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-octadecanamide [R-[R,s-(e)]]-N-[2-hydroxy-1-[[(3-O-sulfO-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-octadecanamide
CHEBI:83874 chebi:83874	N-(octadecanoyl)-(3O-sulfo-D-galactosyl)-sphing-4-enine (2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside (3O-sulfo-D-galactosyl)-N-octadecanoylsphing-4-enine(1-) C18 galactosylceramide sulfate C18 sulfatide N-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine(1-)
SLM:000396820 slm:000396820	N-(octadecanoyl)-1-O-beta-D-(3-O-sulfo)-galactosyl-sphing-4-enine (3'-sulfo)GalCer(d18:1(4E)/18:0) Sulfogalactosyl ceramide (d18:1(4E)/18:0)
hmdb:HMDB12314	secondary/obsolete/fantasy identifier