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a ganglioside Fuc-GM1 (d18:1(4E))

PropertiesImage
MNX_IDMNXM41354 Image of MNXM41354
referencechebi:78607
formulaC62H105N3O35*
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]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H109N3O35/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(75)31(64-28(3)72)26-90-58-49(86)47(84)51(37(24-70)94-58)96-60-50(87)55(101-63(62(88)89)20-33(76)39(65-29(4)73)54(100-63)42(79)34(77)21-67)52(38(25-71)95-60)97-57-40(66-30(5)74)53(44(81)36(23-69)92-57)98-61-56(46(83)43(80)35(22-68)93-61)99-59-48(85)45(82)41(78)27(2)91-59/h18-19,27,31-61,67-71,75-87H,6-17,20-26H2,1-5H3,(H,64,72)(H,65,73)(H,66,74)(H,88,89)/b19-18+/t27-,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/i3+1 Image of MNXM41354
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:32]([C@H:31]([CH2:26][O:90][C@H:58]1[C@H:49]([OH:86])[C@@H:47]([OH:84])[C@H:51]([O:96][C@H:60]2[C@H:50]([OH:87])[C@@H:55]([O:101][C@:63]3([C:62](=[O:88])[OH:89])[CH2:20][C@H:33]([OH:76])[C@@H:39]([N:65]=[C:29]([CH3:4])[OH:73])[C@H:54]([C@@H:42]([C@@H:34]([CH2:21][OH:67])[OH:77])[OH:79])[O:100]3)[C@@H:52]([O:97][C@H:57]3[C@H:40]([N:66]=[C:30]([CH3:5])[OH:74])[C@@H:53]([O:98][C@H:61]4[C@H:56]([O:99][C@H:59]5[C@@H:48]([OH:85])[C@H:45]([OH:82])[C@H:41]([OH:78])[C@H:27]([CH3:2])[O:91]5)[C@@H:46]([OH:83])[C@@H:43]([OH:80])[C@@H:35]([CH2:22][OH:68])[O:93]4)[C@@H:44]([OH:81])[C@@H:36]([CH2:23][OH:69])[O:92]3)[C@@H:38]([CH2:25][OH:71])[O:95]2)[C@@H:37]([CH2:24][OH:70])[O:94]1)[N:64]=[C:28]([13CH3:3])[OH:72])[OH:75]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78607
chebi:78607 		a ganglioside Fuc-GM1 (d18:1(4E))
alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-)
alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-)
fucosyl-GM1(1-)

seed.compound:cpd21616
seedM:cpd21616
kegg.glycan:G00166
keggG:G00166 		Fucosyl-GM1

SLM:000389739
slm:000389739 		Ganglioside Fuc-GM1(d18:1(4E))
Fucosyl-ganglioside GM1(d18:1)

CHEBI:61575
chebi:61575 		alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->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-ulonosyl-(2->3)-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactosyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucoside
(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->3)-[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
(Gal)2 (GalNAc)1 (Glc)1 (LFuc)1 (Neu5Ac)1 (Cer)1
F-GM1
FucGM1
Fucosyl-GM1
alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer

keggG:M_G00166
seedM:M_cpd21616 		secondary/obsolete/fantasy identifier