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N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide

PropertiesImage
MNX_IDMNXM735285 Image of MNXM735285
referencechebi:60079
formulaC42H72N2O21*
global charge-1
mol weight 
InChIKey 
InChI 
SMILES[*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[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/C43H76N2O21/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(50)25(44-23(2)48)21-61-40-37(58)35(56)38(29(20-47)63-40)65-41-36(57)34(55)33(54)30(64-41)22-62-43(42(59)60)18-27(51)31(45-24(3)49)39(66-43)32(53)28(52)19-46/h16-17,25-41,46-47,50-58H,4-15,18-22H2,1-3H3,(H,44,48)(H,45,49)(H,59,60)/b17-16+/t25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,43+/m0/s1/i2+1 Image of MNXM735285
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C@H:26]([C@H:25]([CH2:21][O:61][C@H:40]1[C@H:37]([OH:58])[C@@H:35]([OH:56])[C@H:38]([O:65][C@H:41]2[C@H:36]([OH:57])[C@@H:34]([OH:55])[C@@H:33]([OH:54])[C@@H:30]([CH2:22][O:62][C@:43]3([C:42](=[O:59])[OH:60])[CH2:18][C@H:27]([OH:51])[C@@H:31]([N:45]=[C:24]([CH3:3])[OH:49])[C@H:39]([C@@H:32]([C@@H:28]([CH2:19][OH:46])[OH:52])[OH:53])[O:66]3)[O:64]2)[C@@H:29]([CH2:20][OH:47])[O:63]1)[N:44]=[C:23]([13CH3:2])[OH:48])[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60079
chebi:60079 		N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide
alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(1-)

seed.compound:cpd02888
seedM:cpd02888 		Neu5Ac-alpha2->6Gal-beta1->4Glc-beta1->1'Cer
CPD-442
alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D- glucosylceramide
alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide

kegg.compound:C04740
keggC:C04740 		alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide
Neu5Ac-alpha2->6Gal-beta1->4Glc-beta1->1'Cer

CHEBI:15679
chebi:15679 		alpha-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
Neu5Ac-alpha2->6Gal-beta1->4Glc-beta1->1'Cer
alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide
alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer

metacyc.compound:CPD-442
metacycM:CPD-442 		an N-acetyl-alpha-neuraminyl-(2->6)-beta-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide

chebi:10313
chebi:12301
keggC:M_C04740
seedM:M_cpd02888 		secondary/obsolete/fantasy identifier