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N-(dodecanoyl)-1-O-beta-D-(3-O-sulfo)-galactosyl-sphing-4-enine

PropertiesImage
MNX_IDMNXM36722 Image of MNXM36722
referenceslm:000396811
formulaC36H68NO11S
global charge-1
mol weight723.003
InChIKeyFWVDYZZBQLRRDU-AZNTWQPMSA-M
InChIInChI=1S/C36H69NO11S/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(37-32(40)26-24-22-20-17-12-10-8-6-4-2)28-46-36-34(42)35(48-49(43,44)45)33(41)31(27-38)47-36/h23,25,29-31,33-36,38-39,41-42H,3-22,24,26-28H2,1-2H3,(H,37,40)(H,43,44,45)/p-1/b25-23+/t29-,30+,31+,33-,34+,35-,36+/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)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C36H69NO11S/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(37-32(40)26-24-22-20-17-12-10-8-6-4-2)28-46-36-34(42)35(48-49(43,44)45)33(41)31(27-38)47-36/h23,25,29-31,33-36,38-39,41-42H,3-22,24,26-28H2,1-2H3,(H,37,40)(H,43,44,45)/b25-23+/t29-,30+,31+,33-,34+,35-,36+/m0/s1 Image of MNXM36722
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:19][CH2:21]/[CH:23]=[CH:25]/[C@H:30]([C@H:29]([CH2:28][O:46][C@H:36]1[C@H:34]([OH:42])[C@@H:35]([O:48][S:49]([OH:43])(=[O:44])=[O:45])[C@@H:33]([OH:41])[C@@H:31]([CH2:27][OH:38])[O:47]1)[N:37]=[C:32]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:40])[OH:39]
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

SLM:000396811
slm:000396811
FWVDYZZBQLRRDU-AZNTWQPMSA-M 		N-(dodecanoyl)-1-O-beta-D-(3-O-sulfo)-galactosyl-sphing-4-enine
(3'-sulfo)GalCer(d18:1(4E)/12:0)
Sulfogalactosyl ceramide (d18:1(4E)/12:0)
hmdb:HMDB0012311
FWVDYZZBQLRRDU-YHVLGNOMSA-N 		3-O-Sulfogalactosylceramide (d18:1/12:0)
3'-O-Sulphogalactosylceramide
3-O-SulfO-beta-D-galactosylceramide
3-O-SulfO-beta-delta-galactosylceramide
3-O-Sulfogalactosylceramide
3-O-Sulphogalactosylceramide (D18:1/12:0)
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]-undecanamide
N-[(1S,2R,3E)-2-Hydroxy-1-[[(3-O-sulfO-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-undecanamide
N-[(2S,3R,4E)-1-{[(2R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(sulfooxy)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanimidate
N-[(2S,3R,4E)-1-{[(2R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(sulphooxy)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanimidate
N-[(2S,3R,4E)-1-{[(2R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(sulphooxy)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanimidic acid
Sulfatide
Sulfatide (D18:1/12:0)
[(2R,5S,6R)-2-{[(2S,3R,4E)-2-dodecanamido-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]-undecanamide
[R-[R*,s*-(e)]]-N-[2-hydroxy-1-[[(3-O-sulfO-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-undecanamide

hmdb:HMDB12311 		secondary/obsolete/fantasy identifier