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Trihexosyl ceramide

PropertiesImage
MNX_IDMNXM1560770 Image of MNXM1560770
referencevmhM:thcrm_hs
vmhM:thcrm_hs
formulaC48H89NO18
global charge0
mol weight968.229
InChIKeyHJVQASFQICDJJP-AARKWTLXSA-N
InChIInChI=1S/C48H89NO18/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-32(53)31(49-36(54)26-24-22-20-17-12-10-8-6-4-2)30-62-46-42(60)39(57)44(34(28-51)64-46)67-48-43(61)40(58)45(35(29-52)65-48)66-47-41(59)38(56)37(55)33(27-50)63-47/h23,25,31-35,37-48,50-53,55-61H,3-22,24,26-30H2,1-2H3,(H,49,54)/b25-23+/t31-,32+,33+,34+,35+,37-,38-,39+,40?,41+,42+,43+,44+,45-,46+,47+,48-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H89NO18/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-32(53)31(49-36(54)26-24-22-20-17-12-10-8-6-4-2)30-62-46-42(60)39(57)44(34(28-51)64-46)67-48-43(61)40(58)45(35(29-52)65-48)66-47-41(59)38(56)37(55)33(27-50)63-47/h23,25,31-35,37-48,50-53,55-61H,3-22,24,26-30H2,1-2H3,(H,49,54)/b25-23+/t31-,32+,33+,34+,35+,37-,38-,39+,40?,41+,42+,43+,44+,45-,46+,47+,48-/m0/s1 Image of MNXM1560770
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:32]([C@H:31]([CH2:30][O:62][C@H:46]1[C@H:42]([OH:60])[C@@H:39]([OH:57])[C@H:44]([O:67][C@H:48]2[C@H:43]([OH:61])[CH:40]([OH:58])[C@@H:45]([O:66][C@@H:47]3[C@H:41]([OH:59])[C@@H:38]([OH:56])[C@@H:37]([OH:55])[C@@H:33]([CH2:27][OH:50])[O:63]3)[C@@H:35]([CH2:29][OH:52])[O:65]2)[C@@H:34]([CH2:28][OH:51])[O:64]1)[NH:49][C:36]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[OH:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:thcrm_hs
vmhM:thcrm_hs
vmhmetabolite:thcrm_hs
vmhmetabolite:thcrm_hs
HJVQASFQICDJJP-AARKWTLXSA-N 		Trihexosyl ceramide
Bassen-kornzweig syndrome
Cell signaling agent
Cellular membrane
Ceramide trihexoside
D-Galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
Dietary supplement
Digestion
Extracellular region
Fabry glycolipid
Fauna
Gal-alpha1->4gal-beta1->4GLC-beta1->1'cer
Gal-alpha1->4laccer
Ganglioside GL3
Gb3
Globo-N-triaosylceramide
Globotriaosylceramide
Globotriglycosylceramide
Globotriosylceramide
Kidneys
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanimidate
Neuron
Nutraceutical
Shiga toxin receptor
Signal transduction
Signaling agent
Signalling molecule
Surface-active agent
delta-Galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide

vmhM:M_thcrm_hs 		secondary/obsolete/fantasy identifier