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3-O-Sulfogalactosylceramide (d18:1/16:0)

PropertiesImage
MNX_IDMNXM1593415 Image of MNXM1593415
referencevmhM:crbs_hdca_gal3s
vmhM:crbs_hdca_gal3s
formulaC40H76NO11S
global charge-1
mol weight779.111
InChIKeyCJGVDSGIQZDLDO-IQMNKDGVSA-M
InChIInChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/p-1/b29-27-/t33-,34+,35+,37-,38+,39-,40+/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)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27-/t33-,34+,35+,37-,38+,39-,40+/m0/s1 Image of MNXM1593415
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25]/[CH:27]=[CH:29]\[C@H:34]([C@H:33]([CH2:32][O:50][C@H:40]1[C@H:38]([OH:46])[C@@H:39]([O:52][S:53](=[O:47])([OH:48])=[O:49])[C@@H:37]([OH:45])[C@@H:35]([CH2:31][OH:42])[O:51]1)[NH:41][C:36]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:crbs_hdca_gal3s
vmhM:crbs_hdca_gal3s
vmhmetabolite:crbs_hdca_gal3s
vmhmetabolite:crbs_hdca_gal3s
CJGVDSGIQZDLDO-IQMNKDGVSA-M 		3-O-Sulfogalactosylceramide (d18:1/16:0)
(3'-SulphO)galbeta-cer(D18:1/16:0)
3'-O-Sulphogalactosylceramide
3-O-SulfO-beta-D-galactosylceramide
3-O-SulfO-beta-delta-galactosylceramide
3-O-Sulfogalactosylceramide
3-O-Sulphogalactosylceramide (D18:1/16:0)
Cell signaling agent
Cellular membrane
Cerebroside 3-sulfate
Cerebroside 3-sulphate
Dietary supplement
Digestion
Extracellular region
Fauna
Galactosylceramide-sulfate
Galactosylceramide-sulphate
Galactosylceramidesulfate
Galactosylceramidesulphate
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfO-b-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-hexadecanamide
N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfO-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-hexadecanamide
Nutraceutical
Signal transduction
Signaling agent
Signalling molecule
Sulfatide
Sulfatide (D18:1/16:0)
Surface-active agent
[R-[R*,s*-(e)]]-N-[2-hydroxy-1-[[(3-O-sulfO-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-hexadecanamide
[R-[R*,s*-(e)]]-N-[2-hydroxy-1-[[(3-O-sulfO-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-hexadecanamide

vmhM:3osulfgalside
vmhM:3osulfgalside
vmhM:M_crbs_hdca_gal3s 		secondary/obsolete/fantasy identifier