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

PropertiesImage
MNX_IDMNXM13384 Image of MNXM13384
referencechebi:140718
formulaC62H105N3O36*
global charge-1
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@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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/C63H109N3O36/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(76)30(64-27(2)73)26-91-58-47(85)45(83)51(37(24-71)95-58)97-59-48(86)46(84)52(38(25-72)96-59)98-60-49(87)55(43(81)35(22-69)93-60)100-57-40(66-29(4)75)53(42(80)34(21-68)92-57)99-61-50(88)56(44(82)36(23-70)94-61)102-63(62(89)90)19-32(77)39(65-28(3)74)54(101-63)41(79)33(78)20-67/h17-18,30-61,67-72,76-88H,5-16,19-26H2,1-4H3,(H,64,73)(H,65,74)(H,66,75)(H,89,90)/b18-17+/t30-,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-,56-,57-,58+,59-,60+,61-,63-/m0/s1/i2+1 Image of MNXM13384
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:31]([C@H:30]([CH2:26][O:91][C@H:58]1[C@H:47]([OH:85])[C@@H:45]([OH:83])[C@H:51]([O:97][C@H:59]2[C@H:48]([OH:86])[C@@H:46]([OH:84])[C@@H:52]([O:98][C@@H:60]3[C@H:49]([OH:87])[C@@H:55]([O:100][C@H:57]4[C@H:40]([N:66]=[C:29]([CH3:4])[OH:75])[C@@H:53]([O:99][C@H:61]5[C@H:50]([OH:88])[C@@H:56]([O:102][C@:63]6([C:62](=[O:89])[OH:90])[CH2:19][C@H:32]([OH:77])[C@@H:39]([N:65]=[C:28]([CH3:3])[OH:74])[C@H:54]([C@@H:41]([C@@H:33]([CH2:20][OH:67])[OH:78])[OH:79])[O:101]6)[C@@H:44]([OH:82])[C@@H:36]([CH2:23][OH:70])[O:94]5)[C@@H:42]([OH:80])[C@@H:34]([CH2:21][OH:68])[O:92]4)[C@@H:43]([OH:81])[C@@H:35]([CH2:22][OH:69])[O:93]3)[C@@H:38]([CH2:25][OH:72])[O:96]2)[C@@H:37]([CH2:24][OH:71])[O:95]1)[N:64]=[C:27]([13CH3:2])[OH:73])[OH:76]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:140718
chebi:140718 		a globoside MSGG (d18:1(4E))
MSGG(d18:1)
Monosialyl-Gb5(d18:1)
N-acetyl-alpha-neuraminosyl-(2->3)-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')-N-acylsphing-4E-enine
SSEA-4(d18:1)
alpha-NeuAc-(2->3)-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(d18:1)
alpha-NeuAc-(2->3)-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')-N-acylsphingosine

SLM:000758191
slm:000758191 		Globoside MSGG (d18:1(4E))
alpha-NeuAc-(2->3)-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')-N-acylsphingosine

seed.compound:cpd21580
seedM:cpd21580
kegg.glycan:G00098
keggG:G00098 		Monosialylgalactosylgloboside
MSGG
Monosialyl-Gb5
SSEA-4
V3NeuAc-Gb5Cer

metacyc.compound:SSEA4
metacycM:SSEA4 		SSEA-4
an N-acetyl-beta-D-neuraminyl-(2->3)-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:cpd37023
seedM:cpd37023 		SSEA4

keggG:M_G00098
seedM:M_cpd21580
seedM:M_cpd37023 		secondary/obsolete/fantasy identifier