Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM36728 Image of MNXM36728
referencechebi:75973
formulaC46H88NO11S
global charge-1
mol weight863.273
InChIKeyUAKYQMHTPLVMJD-VKNIJNTKSA-M
InChIInChI=1S/C46H89NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-56-46-44(52)45(58-59(53,54)55)43(51)41(37-48)57-46/h33,35,39-41,43-46,48-49,51-52H,3-32,34,36-38H2,1-2H3,(H,47,50)(H,53,54,55)/p-1/b35-33+/t39-,40+,41+,43-,44+,45-,46+/m0/s1
SMILESCCCCCCCCCCCCC/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)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C46H89NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-56-46-44(52)45(58-59(53,54)55)43(51)41(37-48)57-46/h33,35,39-41,43-46,48-49,51-52H,3-32,34,36-38H2,1-2H3,(H,47,50)(H,53,54,55)/b35-33+/t39-,40+,41+,43-,44+,45-,46+/m0/s1 Image of MNXM36728
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:42](=[N:47][C@@H:39]([CH2:38][O:56][C@H:46]1[C@H:44]([OH:52])[C@@H:45]([O:58][S:59]([OH:53])(=[O:54])=[O:55])[C@@H:43]([OH:51])[C@@H:41]([CH2:37][OH:48])[O:57]1)[C@@H:40](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:49])[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75973
chebi:75973
UAKYQMHTPLVMJD-VKNIJNTKSA-M 		1-(3-O-sulfo-beta-D-galactosyl)-N-docosanoylsphingosine
(2S,3R,4E)-2-(docosanoylamino)-3-hydroxyoctadec-4-en-1-yl 3-O-sulfonato-beta-D-galactopyranoside
1-(3-O-sulfo-beta-D-galactosyl)-N-behenoylsphingosine(1-)
1-(3-O-sulfo-beta-D-galactosyl)-N-docosanoylsphingosine(1-)
behenoyl sulfatide(1-)

lipidmaps:LMSP06020009
lipidmapsM:LMSP06020009
UAKYQMHTPLVMJD-VKNIJNTKSA-N 		(3'-sulfo)Galbeta-Cer(d18:1/22:0)
C22 Sulfatide
N-docosanoyl-1-beta-(3'-sulfo)-glucosyl-sphing-4-enine
O2
SHexCer 40:1

CHEBI:76098
chebi:76098
UAKYQMHTPLVMJD-VKNIJNTKSA-N 		1-(3-O-sulfo-beta-D-galactosyl)-N-docosanoylsphingosine
1-(3-O-sulfo-beta-D-galactosyl)-N-behenoylsphingosine
N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}docosanamide
hmdb:HMDB0012316
UAKYQMHTPLVMJD-GJOJTGTQSA-N 		3-O-Sulfogalactosylceramide (d18:1/22:0)
(3'-SulphO)galbeta-cer(D18:1/22:0)
3'-O-Sulphogalactosylceramide
3-O-SulfO-beta-D-galactosylceramide
3-O-SulfO-beta-delta-galactosylceramide
3-O-Sulfogalactosylceramide
3-O-Sulphogalactosylceramide (D18:1/22:0)
C22 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]-docosanamide
N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfO-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-docosanamide
Sulfatide
Sulfatide (D18:1/22:0)
[(2R,5S,6R)-2-{[(2S,3R,4E)-2-docosanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-3,5-dihydroxy-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]-docosanamide
[R-[R*,s*-(e)]]-N-[2-hydroxy-1-[[(3-O-sulfO-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-docosanamide

CHEBI:176327
chebi:176327
UAKYQMHTPLVMJD-GJOJTGTQSA-N 		3-O-Sulfogalactosylceramide (d18:1/22:0)
[(2R,5S,6R)-2-[(E,2S,3R)-2-(docosanoylamino)-3-hydroxyoctadec-4-enoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate

CHEBI:83899
chebi:83899
UAKYQMHTPLVMJD-UHCXOLDLSA-M 		N-(docosanoyl)-(3-O-sulfo-D-galactosyl)-sphing-4-enine
(2S,3R,4E)-2-(docosanoylamino)-3-hydroxyoctadec-4-en-1-yl 3-O-sulfonato-D-galactopyranoside
3-O-sulfo-D-galactosyl-N-(docosanoyl)-sphing-4-enine(1-)
C22 galactosylceramide sulfate
N-docosanoyl-(3-O-sulfo-D-galactosyl)sphingosine(1-)

SLM:000000533
slm:000000533
UAKYQMHTPLVMJD-VKNIJNTKSA-M 		N-(docosanoyl)-1-O-beta-D-(3-O-sulfo)-galactosyl-sphing-4-enine
(3'-sulfo)GalCer(d18:1(4E)/22:0)
1-(3-O-sulfo-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl)-N-docosanoylsphingosine
Sulfogalactosyl ceramide (d18:1(4E)/22:0)

hmdb:HMDB12316 		secondary/obsolete/fantasy identifier