Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM32455 Image of MNXM32455
referencechebi:45644
formulaC42H81NO11S
global charge0
mol weight808.173
InChIKeyGQQZXRPXBDJABR-BDZNYNMQSA-N
InChIInChI=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
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)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM32455
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:38](=[N:43][C@@H:35]([CH2:34][O:52][C@H:42]1[C@H:40]([OH:48])[C@@H:41]([O:54][S:55]([OH:49])(=[O:50])=[O:51])[C@@H:39]([OH:47])[C@@H:37]([CH2:33][OH:44])[O:53]1)[C@@H:36](/[CH:31]=[CH:29]/[CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:46]
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:45644
chebi:45644
GQQZXRPXBDJABR-BDZNYNMQSA-N 		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
GQQZXRPXBDJABR-BDZNYNMQSA-N 		(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
GQQZXRPXBDJABR-BDZNYNMQSA-M 		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
GQQZXRPXBDJABR-XMDONHODSA-N 		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:191473
chebi:191473
GQQZXRPXBDJABR-XMDONHODSA-N 		3-O-Sulfogalactosylceramide (d18:1/18:0)
[(2R,3S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-4-yl] hydrogen sulate

CHEBI:83874
chebi:83874
GQQZXRPXBDJABR-DKPAJCBTSA-M 		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
GQQZXRPXBDJABR-BDZNYNMQSA-M 		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