Search MNXref
 Feedback

beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM39725 Image of MNXM39725
referencechebi:61169
formulaC60H101N3O43
global charge0
mol weight1552.446
InChIKeyFTQQMBZUSVBAEW-MUVYSQPSSA-N
InChIInChI=1S/C60H101N3O43/c1-13-28(73)34(79)38(83)55(90-13)102-47-25(61-16(4)70)52(89)93-22(10-67)44(47)100-59-42(87)50(32(77)20(8-65)95-59)105-54-27(63-18(6)72)49(104-57-40(85)36(81)30(75)15(3)92-57)46(24(12-69)98-54)101-60-43(88)51(33(78)21(9-66)96-60)106-53-26(62-17(5)71)48(103-56-39(84)35(80)29(74)14(2)91-56)45(23(11-68)97-53)99-58-41(86)37(82)31(76)19(7-64)94-58/h13-15,19-60,64-69,73-89H,7-12H2,1-6H3,(H,61,70)(H,62,71)(H,63,72)/t13-,14-,15-,19+,20+,21+,22+,23+,24+,25+,26+,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+,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C60H101N3O43/c1-13-28(73)34(79)38(83)55(90-13)102-47-25(61-16(4)70)52(89)93-22(10-67)44(47)100-59-42(87)50(32(77)20(8-65)95-59)105-54-27(63-18(6)72)49(104-57-40(85)36(81)30(75)15(3)92-57)46(24(12-69)98-54)101-60-43(88)51(33(78)21(9-66)96-60)106-53-26(62-17(5)71)48(103-56-39(84)35(80)29(74)14(2)91-56)45(23(11-68)97-53)99-58-41(86)37(82)31(76)19(7-64)94-58/h13-15,19-60,64-69,73-89H,7-12H2,1-6H3,(H,61,70)(H,62,71)(H,63,72)/t13-,14-,15-,19+,20+,21+,22+,23+,24+,25+,26+,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+,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1 Image of MNXM39725
SMILES (mnx)[CH3:1][C@H:13]1[C@@H:28]([OH:73])[C@@H:34]([OH:79])[C@H:38]([OH:83])[C@H:55]([O:102][C@@H:47]2[C@@H:25]([N:61]=[C:16]([CH3:4])[OH:70])[C@H:52]([OH:89])[O:93][C@H:22]([CH2:10][OH:67])[C@H:44]2[O:100][C@H:59]2[C@H:42]([OH:87])[C@@H:50]([O:105][C@H:54]3[C@H:27]([N:63]=[C:18]([CH3:6])[OH:72])[C@@H:49]([O:104][C@H:57]4[C@@H:40]([OH:85])[C@H:36]([OH:81])[C@H:30]([OH:75])[C@H:15]([CH3:3])[O:92]4)[C@H:46]([O:101][C@H:60]4[C@H:43]([OH:88])[C@@H:51]([O:106][C@H:53]5[C@H:26]([N:62]=[C:17]([CH3:5])[OH:71])[C@@H:48]([O:103][C@H:56]6[C@@H:39]([OH:84])[C@H:35]([OH:80])[C@H:29]([OH:74])[C@H:14]([CH3:2])[O:91]6)[C@H:45]([O:99][C@H:58]6[C@H:41]([OH:86])[C@@H:37]([OH:82])[C@@H:31]([OH:76])[C@@H:19]([CH2:7][OH:64])[O:94]6)[C@@H:23]([CH2:11][OH:68])[O:97]5)[C@@H:33]([OH:78])[C@@H:21]([CH2:9][OH:66])[O:96]4)[C@@H:24]([CH2:12][OH:69])[O:98]3)[C@@H:32]([OH:77])[C@@H:20]([CH2:8][OH:65])[O:95]2)[O:90]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61169
chebi:61169
FTQQMBZUSVBAEW-MUVYSQPSSA-N 		beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc
-[3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1]-3
6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranose
O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
[3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->]3
[3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->]3
[3)-beta-Gal-(1->4)-[alpha-Fuc-(1->3)]-beta-GlcNAc-(1->]3
alpha-L-fucopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranose
alpha-L-fucosyl-(1->3)-[alpha-L-fucosyl-(1->3)-[alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosamine
beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc
beta-D-glucopyranose, O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-
trimeric Lewis x
trimeric Lewis-X