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a neolactoside nLc4Cer(d18:1(4E))

PropertiesImage
MNX_IDMNXM729627 Image of MNXM729627
referencechebi:17006
formulaC45H79N2O23*
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@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/C46H82N2O23/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(55)25(47-23(2)53)22-64-44-38(62)36(60)41(30(21-52)68-44)70-46-39(63)42(33(57)28(19-50)66-46)71-43-31(48-24(3)54)34(58)40(29(20-51)67-43)69-45-37(61)35(59)32(56)27(18-49)65-45/h16-17,25-46,49-52,55-63H,4-15,18-22H2,1-3H3,(H,47,53)(H,48,54)/b17-16+/t25-,26+,27+,28+,29+,30+,31+,32-,33-,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,44+,45-,46-/m0/s1/i2+1 Image of MNXM729627
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]([CH2:22][O:64][C@H:44]1[C@H:38]([OH:62])[C@@H:36]([OH:60])[C@H:41]([O:70][C@H:46]2[C@H:39]([OH:63])[C@@H:42]([O:71][C@H:43]3[C@H:31]([N:48]=[C:24]([CH3:3])[OH:54])[C@@H:34]([OH:58])[C@H:40]([O:69][C@H:45]4[C@H:37]([OH:61])[C@@H:35]([OH:59])[C@@H:32]([OH:56])[C@@H:27]([CH2:18][OH:49])[O:65]4)[C@@H:29]([CH2:20][OH:51])[O:67]3)[C@@H:33]([OH:57])[C@@H:28]([CH2:19][OH:50])[O:66]2)[C@@H:30]([CH2:21][OH:52])[O:68]1)[N:47]=[C:23]([13CH3:2])[OH:53])[OH:55]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17006
chebi:17006 		a neolactoside nLc4Cer(d18:1(4E))
(Gal)2 (Glc)1 (GlcNAc)1 (Cer)1
D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide
Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta1-1Cer
LA1
N-[(2S,3R,4E)-1-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyloxy]-3-hydroxyoctadec-4-en-2-yl]alkanamide
beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide
beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer
beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide
lacto-N-neotetraosylceramide
lactoneotetraosylceramide
nLc4Cer
nLcCer
neolactotetraosylceramide

metacyc.compound:Neolactotetraosylceramides
metacycM:Neolactotetraosylceramides 		a neolactotetraosylceramide
a beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-ceramide
a beta-D-galactosyl-(1,4)-N-acetyl-beta-D-glucosaminyl-(1-3)-beta-D-galactosyl-1,4-beta-D-glucosyl-(1<->1)-ceramide
a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide
a beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D- galactosyl-1,4-beta-D-glucosylceramide
a beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosyl-(1<->1)-ceramide
a lacto-N-neotetraosylceramide
a lactoneotetraosylceramide
a paragloboside
nLc4

kegg.compound:C04922
keggC:C04922 		beta-D-Galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide
D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide
beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide

chebi:10390
chebi:12367
chebi:12942
keggC:M_C04922 		secondary/obsolete/fantasy identifier