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a globoside Gb4Cer (d18:1(4E))

PropertiesImage
MNX_IDMNXM1104521 Image of MNXM1104521
referencechebi:18259
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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](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)22-64-44-37(61)35(59)40(29(20-51)67-44)69-45-38(62)36(60)41(30(21-52)68-45)70-46-39(63)42(33(57)28(19-50)66-46)71-43-31(48-24(3)54)34(58)32(56)27(18-49)65-43/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 MNXM1104521
SMILES (mnx)[C@H:1]([13CH:2](/[CH:5]=[CH:9]/[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH3:6])([CH2:3][C:7](=[CH2:10])[CH3:11])[CH2:4][CH2:8][O@:66]1[O:62][O@@:60]([O:63][OH:67])[O@@:59]([O:58][O@:55]2[O:51][O@@:49]([O:52][OH:56])[N:47]([CH2:44][C@H:39]3[CH:35]([CH3:40])[C@@H:31]([CH2:27][C@@H:25]4[C@@H:26]([CH2:30][O:69]([OH:70])=[O:71])[C@@H:29]([CH3:34])[C@@H:33]([CH3:38])[C@@H:32]([CH2:37][CH3:43])[CH2:28]4)[C@@H:36]([CH3:42])[C@H:41]([CH2:46][NH2:48])[CH2:45]3)[O:50]([OH:54])[O@@:53]2[OH:57])[O@:61]([OH:65])[O@@:64]1[OH:68]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)21
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18259
chebi:18259 		a globoside Gb4Cer (d18:1(4E))
(Gal)2 (GalNAc)1 (Glc)1 (Cer)1
CTH/Gb4
GalNAc-1->3-Gal-1->4-Gal-1->4-Glc-Cer
GalNAcbeta1-3-Galalpha1-4Galbeta1-4Glcbeta1-1Cer
Gb4 Globoside
Gb4 Globotetraosyl ceramide
Gb4Cer
GbOse4Cer
Gbose4Cer
Globoside GL-4
Globoside I
Globotetraosyl ceramide
N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide
N-acetyl-D-galactosaminyl-(1->3)-D-galactosyl-(1->4)-D-galactosyl-(1->4)-D-glucosylceramides
N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide
Slt-iiv receptor
VT2vp1 Receptor
beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer

SLM:000001011
slm:000001011 		Globoside Gb4Cer (d18:1(4E))
Gb4 Globotetraosyl ceramide (d18:1(4E))

seed.compound:cpd02088
seedM:cpd02088 		Globoside
Gb4Cer
Globoside I
N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT
N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D- glucosylceramide
N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D- glucosylceramide
N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
N-acetyl-galactosaminyl-(1,3)-D-galactosyl-(1,4)-D-galactosyl-(1,4)-D-glucosylceramide
P antigen
globoside
globoside I

kegg.compound:C03272
keggC:C03272 		Globoside
Globoside I
N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide

metacyc.compound:N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT
metacycM:N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT 		a globotetraosylceramide
Gb4Cer
T lymphocyte macrophage-associated antigen
TLMA
a P histo-blood group antigen
a globoside I
an N-acetyl-beta-D-galactosaminyl-(1,3)-alpha-D-galactosyl-(1,4)-beta-D-galactosyl-(1,4)-beta-D-glucosylceramide

chebi:12452
chebi:12557
chebi:21508
chebi:21513
chebi:24252
chebi:5388
keggC:M_C03272
seedM:M_cpd02088 		secondary/obsolete/fantasy identifier