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a neolactoside IV(2)-alpha-Fuc-nLc4Cer(d18:1(4E))

PropertiesImage
MNX_IDMNXM1104482 Image of MNXM1104482
referencechebi:28691
formulaC51H89N2O27*
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]4O[C@@H](C)[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/C52H92N2O27/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(61)27(53-25(3)59)23-72-49-42(70)40(68)45(32(22-58)77-49)78-51-43(71)46(36(64)30(20-56)74-51)80-48-33(54-26(4)60)37(65)44(31(21-57)76-48)79-52-47(39(67)35(63)29(19-55)75-52)81-50-41(69)38(66)34(62)24(2)73-50/h17-18,24,27-52,55-58,61-71H,5-16,19-23H2,1-4H3,(H,53,59)(H,54,60)/b18-17+/t24-,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/i3+1 Image of MNXM1104482
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:28]([C@H:27]([CH2:23][O:72][C@H:49]1[C@H:42]([OH:70])[C@@H:40]([OH:68])[C@H:45]([O:78][C@H:51]2[C@H:43]([OH:71])[C@@H:46]([O:80][C@H:48]3[C@H:33]([N:54]=[C:26]([CH3:4])[OH:60])[C@@H:37]([OH:65])[C@H:44]([O:79][C@H:52]4[C@H:47]([O:81][C@H:50]5[C@@H:41]([OH:69])[C@H:38]([OH:66])[C@H:34]([OH:62])[C@H:24]([CH3:2])[O:73]5)[C@@H:39]([OH:67])[C@@H:35]([OH:63])[C@@H:29]([CH2:19][OH:55])[O:75]4)[C@@H:31]([CH2:21][OH:57])[O:76]3)[C@@H:36]([OH:64])[C@@H:30]([CH2:20][OH:56])[O:74]2)[C@@H:32]([CH2:22][OH:58])[O:77]1)[N:53]=[C:25]([13CH3:3])[OH:59])[OH:61]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28691
chebi:28691 		a neolactoside IV(2)-alpha-Fuc-nLc4Cer(d18:1(4E))
(Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1
Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbetal-1Cer
Fucalpha1->2Galbeta1->4GlcNAcbeta1->3Galbeta1->4Glcbetal->Cer
IV2-a-Fuc-nLc4Cer
IV2Fuc-nLc4Cer
N-[(2S,3R,4E)-1-{[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]acetamide
N-[(2S,3R,4E)-1-{[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide
Type IIH glycolipid
alpha-Fuc-(1->2)-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer
alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer
alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->1')-Cer
alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide

chebi:22088
chebi:9795 		secondary/obsolete/fantasy identifier