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Ganglioside GM3 (d18:1/12:0)

	Properties	Image
MNX_ID	MNXM1371873
reference	hmdb:HMDB0004842
formula	C₅₃H₉₆N₂O₂₁
global charge	0
mol weight	1097.344
InChIKey	WWDJRYLWFWMNJE-MDRDOSMGSA-N
InChI	InChI=1S/C53H96N2O21/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(60)34(55-40(63)27-25-23-21-18-13-11-9-7-5-2)32-71-50-45(67)44(66)47(39(31-58)73-50)74-51-46(68)49(43(65)38(30-57)72-51)76-53(52(69)70)28-36(61)41(54-33(3)59)48(75-53)42(64)37(62)29-56/h24,26,34-39,41-51,56-58,60-62,64-68H,4-23,25,27-32H2,1-3H3,(H,54,59)(H,55,63)(H,69,70)/b26-24+/t34-,35+,36-,37+,38+,39+,41+,42+,43-,44+,45?,46+,47+,48?,49-,50+,51-,53-/m0/s1
SMILES	CCCCCCCCCCCCC/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](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C53H96N2O21/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-35(60)34(55-40(63)27-25-23-21-18-13-11-9-7-5-2)32-71-50-45(67)44(66)47(39(31-58)73-50)74-51-46(68)49(43(65)38(30-57)72-51)76-53(52(69)70)28-36(61)41(54-33(3)59)48(75-53)42(64)37(62)29-56/h24,26,34-39,41-51,56-58,60-62,64-68H,4-23,25,27-32H2,1-3H3,(H,54,59)(H,55,63)(H,69,70)/b26-24+/t34-,35+,36-,37+,38+,39+,41+,42+,43-,44+,45?,46+,47+,48?,49-,50+,51-,53-/m0/s1
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:71][C@H:50]1[CH:45]([OH:67])[C@@H:44]([OH:66])[C@H:47]([O:74][C@H:51]2[C@H:46]([OH:68])[C@@H:49]([O:76][C@:53]3([C:52](=[O:69])[OH:70])[CH2:28][C@H:36]([OH:61])[C@@H:41]([NH:54][C:33]([CH3:3])=[O:59])[CH:48]([C@@H:42]([C@@H:37]([CH2:29][OH:56])[OH:62])[OH:64])[O:75]3)[C@@H:43]([OH:65])[C@@H:38]([CH2:30][OH:57])[O:72]2)[C@@H:39]([CH2:31][OH:58])[O:73]1)[NH:55][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:63])[OH:60]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0004842 WWDJRYLWFWMNJE-MDRDOSMGSA-N	Ganglioside GM3 (d18:1/12:0) (2S,4S,5R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-[(1-hydroxydodecylidene)amino]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate (2S,4S,5R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,6R)-6-{[(2S,3R,4E)-2-dodecanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide (N-Acetylneuraminyl)-delta-galactosyl-delta-glucosylceramide GLac1 GM3 Ganglioside GM3 Ganglioside m3 Hematoside N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide N-Acetylneuraminyl-2,3-alpha-delta-galactosyl-1,4-beta-delta-glucosylceramide Neu5ac-alpha2->3gal-beta1->4GLC-beta1->1'cer Sialosyllactosylceramide alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide alpha-N-Acetylneuraminyl-2,3-beta-delta-galactosyl-1,4-beta-delta-glucosylceramide
vmhM:gm3_hs vmhM:gm3_hs vmhmetabolite:gm3_hs vmhmetabolite:gm3_hs WWDJRYLWFWMNJE-MDRDOSMGSA-M	Alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(1-) (2S,4S,5R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-[(1-hydroxydodecylidene)amino]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate (N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide (N-Acetylneuraminyl)-delta-galactosyl-delta-glucosylceramide Cell signaling agent Cellular membrane Dietary supplement Digestion Extracellular region Fauna GLac1 GM3 Ganglioside GM3 Ganglioside m3 Hematoside Lipid metabolic process Membrane integrity agent Membrane stability agent Myelin N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide N-Acetylneuraminyl-2,3-alpha-delta-galactosyl-1,4-beta-delta-glucosylceramide Neu5ac-alpha2->3gal-beta1->4GLC-beta1->1'cer Nutraceutical Sialosyllactosylceramide Signal transduction Signaling agent Signalling molecule Surface-active agent Testes Testis alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide alpha-N-Acetylneuraminyl-2,3-beta-delta-galactosyl-1,4-beta-delta-glucosylceramide
hmdb:HMDB04842 vmhM:gm4_X vmhM:gm4_X vmhM:M_gm3_hs	secondary/obsolete/fantasy identifier