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alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer

PropertiesImage
MNX_IDMNXM731256 Image of MNXM731256
referencechebi:28278
formulaC56H96N3O31*
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](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C57H99N3O31/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30(68)29(58-26(2)65)24-82-53-46(78)44(76)49(35(23-64)86-53)89-55-47(79)51(41(73)33(21-62)84-55)90-52-38(60-28(4)67)42(74)48(34(22-63)85-52)88-54-45(77)43(75)40(72)36(87-54)25-83-57(56(80)81)19-31(69)37(59-27(3)66)50(91-57)39(71)32(70)20-61/h17-18,29-55,61-64,68-79H,5-16,19-25H2,1-4H3,(H,58,65)(H,59,66)(H,60,67)(H,80,81)/b18-17+/t29-,30+,31-,32+,33+,34+,35+,36+,37+,38+,39+,40-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51-,52-,53+,54-,55-,57+/m0/s1/i2+1 Image of MNXM731256
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]/[CH:17]=[CH:18]/[C@H:30]([C@H:29]([CH2:24][O:82][C@H:53]1[C@H:46]([OH:78])[C@@H:44]([OH:76])[C@H:49]([O:89][C@H:55]2[C@H:47]([OH:79])[C@@H:51]([O:90][C@H:52]3[C@H:38]([N:60]=[C:28]([CH3:4])[OH:67])[C@@H:42]([OH:74])[C@H:48]([O:88][C@H:54]4[C@H:45]([OH:77])[C@@H:43]([OH:75])[C@@H:40]([OH:72])[C@@H:36]([CH2:25][O:83][C@:57]5([C:56](=[O:80])[OH:81])[CH2:19][C@H:31]([OH:69])[C@@H:37]([N:59]=[C:27]([CH3:3])[OH:66])[C@H:50]([C@@H:39]([C@@H:32]([CH2:20][OH:61])[OH:70])[OH:71])[O:91]5)[O:87]4)[C@@H:34]([CH2:22][OH:63])[O:85]3)[C@@H:41]([OH:73])[C@@H:33]([CH2:21][OH:62])[O:84]2)[C@@H:35]([CH2:23][OH:64])[O:86]1)[N:58]=[C:26]([13CH3:2])[OH:65])[OH:68]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28278
chebi:28278 		alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
(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)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
(2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside
6'-LM1
IV(^)NeuAcnLc4Cer
NeuAcalpha2-6Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc-beta1-1'Cer
NeuAcalpha2-6Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta1-1Cer
alpha-Neu5Ac-(2->6)-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer
alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer

seed.compound:cpd36187
seedM:cpd36187 		Ganglioside-6-LM1

metacyc.compound:Ganglioside-6-LM1
metacycM:Ganglioside-6-LM1 		a ganglioside 6'-LM1

CHEBI:144417
chebi:144417 		a neolactoside IV(6)-alpha-NeuNAc-nLc4Cer(d18:1(4E))
6'-LM1(d18:1(4E))(1-)
N-acetyl-alpha-neuraminosyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-)
alpha-NeuNAc-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1(4E))(1-)
alpha-NeuNAc-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-N-acyl-sphing-4-enine(1-)
alpha-NeuNAc-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-N-acyl-sphingosine(1-)

chebi:133777
chebi:21914
chebi:7532
seedM:M_cpd36187 		secondary/obsolete/fantasy identifier