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Digalactosylceramide

PropertiesImage
MNX_IDMNXM54122 Image of MNXM54122
referencevmhM:digalside_hs
vmhM:digalside_hs
formulaC48H89NO13
global charge0
mol weight888.234
InChIKeyYVBUQOZKCCPFCZ-KJHPJAPOSA-N
InChIInChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29-/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46-,47+,48+/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C\CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29-/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46-,47+,48+/m0/s1 Image of MNXM54122
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:40]([NH:49][C@@H:36]([CH2:35][O:59][C@H:47]1[C@H:45]([OH:58])[C@@H:43]([OH:56])[C@@H:46]([O:62][C@@H:48]2[C@H:44]([OH:57])[C@@H:42]([OH:55])[C@@H:41]([OH:54])[C@@H:38]([CH2:33][OH:50])[O:60]2)[C@@H:39]([CH2:34][OH:51])[O:61]1)[C@@H:37](/[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:52])=[O:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

vmhM:digalside_hs
vmhM:digalside_hs
vmhmetabolite:digalside_hs
vmhmetabolite:digalside_hs
YVBUQOZKCCPFCZ-KJHPJAPOSA-N 		Digalactosylceramide
(9Z)-N-[(4Z)-1-{[(2R,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-hydroxyoctadec-4-en-2-yl]octadec-9-enimidate
1-O-(4-O-alpha-D-Galactopyranosyl-beta-D-galactopyranosyl)-ceramide
1-O-(4-O-alpha-delta-Galactopyranosyl-beta-delta-galactopyranosyl)-ceramide
Cell signaling agent
Cellular membrane
Cytoplasma
Dietary supplement
Digalactosylceramide
Digestion
Extracellular region
Fauna
Gal-alpha1->4gal-beta1->1'cer
Golgi apparatus
Golgi complex
Golgi ribbon
Kidneys
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
Nutraceutical
Signal transduction
Signaling agent
Signalling molecule
Surface-active agent
hmdb:HMDB0004832
YVBUQOZKCCPFCZ-VTAAUCPCSA-N 		Galabiosylceramide (d18:1/9Z-18:1)
(9Z)-N-[(4Z)-1-{[(2R,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-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
(9Z)-N-[(4Z)-1-{[(2R,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-hydroxyoctadec-4-en-2-yl]octadec-9-enimidate
1-O-(4-O-alpha-D-Galactopyranosyl-beta-D-galactopyranosyl)-ceramide
1-O-(4-O-alpha-delta-Galactopyranosyl-beta-delta-galactopyranosyl)-ceramide
Digalactosylceramide
Gal-alpha1->4gal-beta1->1'cer

hmdb:HMDB04832
vmhM:M_digalside_hs 		secondary/obsolete/fantasy identifier