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beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer

PropertiesImage
MNX_IDMNXM43888 Image of MNXM43888
referencechebi:61753
formulaC64H109N4O36*
global charge0
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@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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=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/C65H112N4O36/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(80)32(66-28(2)76)27-94-61-50(89)48(87)54(38(24-73)97-61)101-62-51(90)49(88)53(39(25-74)98-62)100-60-43(69-31(5)79)56(46(85)37(23-72)96-60)103-63-52(91)58(55(40(26-75)99-63)102-59-42(68-30(4)78)47(86)45(84)36(22-71)95-59)105-65(64(92)93)20-34(81)41(67-29(3)77)57(104-65)44(83)35(82)21-70/h18-19,32-63,70-75,80-91H,6-17,20-27H2,1-5H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,92,93)/b19-18+/t32-,33+,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52+,53-,54+,55-,56+,57+,58+,59-,60-,61+,62-,63-,65-/m0/s1/i2+1 Image of MNXM43888
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:33]([C@H:32]([CH2:27][O:94][C@H:61]1[C@H:50]([OH:89])[C@@H:48]([OH:87])[C@H:54]([O:101][C@H:62]2[C@H:51]([OH:90])[C@@H:49]([OH:88])[C@@H:53]([O:100][C@H:60]3[C@H:43]([N:69]=[C:31]([CH3:5])[OH:79])[C@@H:56]([O:103][C@H:63]4[C@H:52]([OH:91])[C@@H:58]([O:105][C@:65]5([C:64](=[O:92])[OH:93])[CH2:20][C@H:34]([OH:81])[C@@H:41]([N:67]=[C:29]([CH3:3])[OH:77])[C@H:57]([C@@H:44]([C@@H:35]([CH2:21][OH:70])[OH:82])[OH:83])[O:104]5)[C@@H:55]([O:102][C@H:59]5[C@H:42]([N:68]=[C:30]([CH3:4])[OH:78])[C@@H:47]([OH:86])[C@@H:45]([OH:84])[C@@H:36]([CH2:22][OH:71])[O:95]5)[C@@H:40]([CH2:26][OH:75])[O:99]4)[C@@H:46]([OH:85])[C@@H:37]([CH2:23][OH:72])[O:96]3)[C@@H:39]([CH2:25][OH:74])[O:98]2)[C@@H:38]([CH2:24][OH:73])[O:97]1)[N:66]=[C:28]([13CH3:2])[OH:76])[OH:80]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61753
chebi:61753 		beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl N-acetyl-beta-D-galactosaminyl-(1->4)-[5-acetyl-alpha-neuraminyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucoside
(Gal)2 (GalNAc)2 (Glc)1 (Neu5Ac)1 (Cer)1
GalNAc-GM1b
GalNAc-isoGM1
GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta1-1Cer
IV(4)GalNAcGM1b
N-acetylgalactosaminyl GM1b
beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer

SLM:000758526
slm:000758526 		Ganglioside GalNAc-GM1b(d18:1(4E))
N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-)

kegg.glycan:G00167
keggG:G00167 		N-Acetylgalactosaminyl GM1b
GalNAc-GM1b

CHEBI:141836
chebi:141836 		a ganglioside GalNAc-GM1b (d18:1(4E))
GalNAc-GM1b(d18:1(4E))(1-)
N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphing-4E-enine(1-)
N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-)
N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-)
beta-D-GalNAc-(1->4)-[alpha-NeuAc-(2->3)]-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1(4E))(1-)

keggG:M_G00167 		secondary/obsolete/fantasy identifier