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a globoside GalGb4Cer (d18:1(4E))

PropertiesImage
MNX_IDMNXM1104504 Image of MNXM1104504
referencechebi:62571
formulaC51H89N2O28*
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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[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/C52H92N2O28/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(62)26(53-24(2)60)23-73-49-41(70)38(67)44(31(21-58)77-49)79-51-42(71)39(68)45(32(22-59)78-51)80-52-43(72)47(36(65)30(20-57)76-52)82-48-33(54-25(3)61)46(35(64)29(19-56)74-48)81-50-40(69)37(66)34(63)28(18-55)75-50/h16-17,26-52,55-59,62-72H,4-15,18-23H2,1-3H3,(H,53,60)(H,54,61)/b17-16+/t26-,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46+,47-,48-,49+,50-,51-,52+/m0/s1/i2+1 Image of MNXM1104504
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:27]([C@H:26]([CH2:23][O:73][C@H:49]1[C@H:41]([OH:70])[C@@H:38]([OH:67])[C@H:44]([O:79][C@H:51]2[C@H:42]([OH:71])[C@@H:39]([OH:68])[C@@H:45]([O:80][C@@H:52]3[C@H:43]([OH:72])[C@@H:47]([O:82][C@H:48]4[C@H:33]([N:54]=[C:25]([CH3:3])[OH:61])[C@@H:46]([O:81][C@H:50]5[C@H:40]([OH:69])[C@@H:37]([OH:66])[C@@H:34]([OH:63])[C@@H:28]([CH2:18][OH:55])[O:75]5)[C@@H:35]([OH:64])[C@@H:29]([CH2:19][OH:56])[O:74]4)[C@@H:36]([OH:65])[C@@H:30]([CH2:20][OH:57])[O:76]3)[C@@H:32]([CH2:22][OH:59])[O:78]2)[C@@H:31]([CH2:21][OH:58])[O:77]1)[N:53]=[C:24]([13CH3:2])[OH:60])[OH:62]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62571
chebi:62571 		a globoside GalGb4Cer (d18:1(4E))
(Gal)3 (GalNAc)1 (Glc)1 (Cer)1
GalGb4
Galactosylgloboside
Gb5Cer
N-[(2S,3R,4E)-1-{[beta-D-galactopyranosyl-(1->3)-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
beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-Cer
beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer
beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-Cer
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide

SLM:000001012
slm:000001012 		Globoside GalGb4Cer (d18:1(4E))
Galactosylgloboside (d18:1(4E))

metacyc.compound:SSEA3
metacycM:SSEA3 		SSEA-3
IV3GalGbOse4Cer
an beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1,3)-alpha-D-galactosyl-(1,4)-beta-D-galactosyl-(1,4)-beta-D-glucosylceramide

seed.compound:cpd36161
seedM:cpd36161 		SSEA3

seedM:M_cpd36161 		secondary/obsolete/fantasy identifier