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Ganglioside GA1 (d18:1/12:0)

PropertiesImage
MNX_IDMNXM1371859 Image of MNXM1371859
referencehmdb:HMDB0004900
formulaC56H102N2O23
global charge0
mol weight1171.423
InChIKeyAJJQXLLQPWSINS-ULFCUAASSA-N
InChIInChI=1S/C56H102N2O23/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(64)34(58-40(65)27-25-23-21-18-13-11-9-7-5-2)32-74-54-48(72)45(69)51(38(30-61)77-54)80-56-49(73)46(70)50(39(31-62)78-56)79-53-41(57-33(3)63)52(43(67)37(29-60)75-53)81-55-47(71)44(68)42(66)36(28-59)76-55/h24,26,34-39,41-56,59-62,64,66-73H,4-23,25,27-32H2,1-3H3,(H,57,63)(H,58,65)/b26-24+/t34-,35+,36+,37+,38+,39+,41+,42-,43-,44-,45+,46+,47+,48?,49+,50-,51+,52+,53-,54+,55-,56-/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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H102N2O23/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(64)34(58-40(65)27-25-23-21-18-13-11-9-7-5-2)32-74-54-48(72)45(69)51(38(30-61)77-54)80-56-49(73)46(70)50(39(31-62)78-56)79-53-41(57-33(3)63)52(43(67)37(29-60)75-53)81-55-47(71)44(68)42(66)36(28-59)76-55/h24,26,34-39,41-56,59-62,64,66-73H,4-23,25,27-32H2,1-3H3,(H,57,63)(H,58,65)/b26-24+/t34-,35+,36+,37+,38+,39+,41+,42-,43-,44-,45+,46+,47+,48?,49+,50-,51+,52+,53-,54+,55-,56-/m0/s1 Image of MNXM1371859
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:20][CH2:22]/[CH:24]=[CH:26]/[C@H:35]([C@H:34]([CH2:32][O:74][C@H:54]1[CH:48]([OH:72])[C@@H:45]([OH:69])[C@H:51]([O:80][C@H:56]2[C@H:49]([OH:73])[C@@H:46]([OH:70])[C@@H:50]([O:79][C@H:53]3[C@H:41]([NH:57][C:33]([CH3:3])=[O:63])[C@@H:52]([O:81][C@H:55]4[C@H:47]([OH:71])[C@@H:44]([OH:68])[C@@H:42]([OH:66])[C@@H:36]([CH2:28][OH:59])[O:76]4)[C@@H:43]([OH:67])[C@@H:37]([CH2:29][OH:60])[O:75]3)[C@@H:39]([CH2:31][OH:62])[O:78]2)[C@@H:38]([CH2:30][OH:61])[O:77]1)[NH:58][C:40]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:18][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])=[O:65])[OH:64]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0004900
AJJQXLLQPWSINS-ULFCUAASSA-N 		Ganglioside GA1 (d18:1/12:0)
Asialoganglioside GM1
Asialoganglioside GT1b
Asialoganglioside g(m1) from bovine brain
GA1
Gal-beta1->3galnac-beta1->4gal-beta1->4GLC-beta1->1'cer
Ganglioside ga1
Gangliotetraosylceramide
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanimidate
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(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}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanamide
asialo GM1
asialo GM1 Ganglioside
asialo Ganglioside GM1a
ganglio-N-Tetraosylceramide

vmhM:ga1_hs
vmhM:ga1_hs
vmhmetabolite:ga1_hs
vmhmetabolite:ga1_hs
AJJQXLLQPWSINS-ULFCUAASSA-N 		Gibberellin A1(1-)
Asialoganglioside GM1
Asialoganglioside GT1b
Asialoganglioside g(m1) from bovine brain
Cell signaling agent
Cellular membrane
Dietary supplement
Digestion
Extracellular region
Fauna
GA1
Gal-beta1->3galnac-beta1->4gal-beta1->4GLC-beta1->1'cer
Ganglioside ga1
Gangliotetraosylceramide
Lipid metabolic process
Membrane integrity agent
Membrane stability agent
N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanimidate
Neuron
Nutraceutical
Signal transduction
Signaling agent
Signalling molecule
Surface-active agent
asialo GM1
asialo GM1 Ganglioside
asialo Ganglioside GM1a
ganglio-N-Tetraosylceramide

hmdb:HMDB04900
vmhM:M_ga1_hs 		secondary/obsolete/fantasy identifier