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beta-D-galactosyl-N-(tetracosanoyl)sphingosine

PropertiesImage
MNX_IDMNXM1105733 Image of MNXM1105733
referencechebi:75186
formulaC48H93NO8
global charge0
mol weight812.271
InChIKeyPOQRWMRXUOPCLD-HIIAJUEOSA-N
InChIInChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,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](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1 Image of MNXM1105733
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:44](=[N:49][C@@H:41]([CH2:40][O:56][C@H:48]1[C@H:47]([OH:55])[C@@H:46]([OH:54])[C@@H:45]([OH:53])[C@@H:43]([CH2:39][OH:50])[O:57]1)[C@@H:42](/[CH:37]=[CH:35]/[CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:51])[OH:52]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 26
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75186
chebi:75186
POQRWMRXUOPCLD-HIIAJUEOSA-N 		beta-D-galactosyl-N-(tetracosanoyl)sphingosine
GalCer(d18:1/24:0)
Galbeta-Cer(d18:1/24:0)
N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide
beta-GalCer

lipidmaps:LMSP0501AC05
lipidmapsM:LMSP0501AC05
POQRWMRXUOPCLD-HIIAJUEOSA-N 		GalCer(d18:1/24:0)
Galbeta-Cer(d18:1/24:0)
HexCer 42:1
O2

bigg.metabolite:galgluside_hs
biggM:galgluside_hs
POQRWMRXUOPCLD-HIIAJUEOSA-N 		Galactosyl glucosyl ceramide

SLM:000000536
slm:000000536
POQRWMRXUOPCLD-HIIAJUEOSA-N 		N-(tetracosanoyl)-1-O-beta-D-galactosyl-sphing-4-enine
GalCer(d18:1(4E)/24:0)
Galactosyl ceramide (d18:1(4E)/24:0)
beta-D-galactosyl-N-(tetracosanoyl)sphingosine

biggM:M_galgluside_hs 		secondary/obsolete/fantasy identifier