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alpha-Neup5Ac-(2->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-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM102596 Image of MNXM102596
referencechebi:71642
formulaC71H118N4O51
global charge0
mol weight1843.702
InChIKeyHRDFVVYVFCWVPR-XLGKCBSFSA-N
InChIInChI=1S/C71H118N4O51/c1-16-35(89)42(96)45(99)64(108-16)120-55-32(73-20(5)84)61(105)111-28(13-80)51(55)117-67-48(102)58(39(93)25(10-77)112-67)123-62-33(74-21(6)85)56(121-65-46(100)43(97)36(90)17(2)109-65)52(29(14-81)115-62)118-68-49(103)59(40(94)26(11-78)113-68)124-63-34(75-22(7)86)57(122-66-47(101)44(98)37(91)18(3)110-66)53(30(15-82)116-63)119-69-50(104)60(41(95)27(12-79)114-69)126-71(70(106)107)8-23(87)31(72-19(4)83)54(125-71)38(92)24(88)9-76/h16-18,23-69,76-82,87-105H,8-15H2,1-7H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,106,107)/t16-,17-,18-,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-,61+,62-,63-,64-,65-,66-,67-,68-,69-,71-/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@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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/C71H118N4O51/c1-16-35(89)42(96)45(99)64(108-16)120-55-32(73-20(5)84)61(105)111-28(13-80)51(55)117-67-48(102)58(39(93)25(10-77)112-67)123-62-33(74-21(6)85)56(121-65-46(100)43(97)36(90)17(2)109-65)52(29(14-81)115-62)118-68-49(103)59(40(94)26(11-78)113-68)124-63-34(75-22(7)86)57(122-66-47(101)44(98)37(91)18(3)110-66)53(30(15-82)116-63)119-69-50(104)60(41(95)27(12-79)114-69)126-71(70(106)107)8-23(87)31(72-19(4)83)54(125-71)38(92)24(88)9-76/h16-18,23-69,76-82,87-105H,8-15H2,1-7H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,106,107)/t16-,17-,18-,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-,61+,62-,63-,64-,65-,66-,67-,68-,69-,71-/m0/s1 Image of MNXM102596
SMILES (mnx)[CH3:1][C@H:16]1[C@@H:35]([OH:89])[C@@H:42]([OH:96])[C@H:45]([OH:99])[C@H:64]([O:120][C@@H:55]2[C@@H:32]([N:73]=[C:20]([CH3:5])[OH:84])[C@H:61]([OH:105])[O:111][C@H:28]([CH2:13][OH:80])[C@H:51]2[O:117][C@H:67]2[C@H:48]([OH:102])[C@@H:58]([O:123][C@H:62]3[C@H:33]([N:74]=[C:21]([CH3:6])[OH:85])[C@@H:56]([O:121][C@H:65]4[C@@H:46]([OH:100])[C@H:43]([OH:97])[C@H:36]([OH:90])[C@H:17]([CH3:2])[O:109]4)[C@H:52]([O:118][C@H:68]4[C@H:49]([OH:103])[C@@H:59]([O:124][C@H:63]5[C@H:34]([N:75]=[C:22]([CH3:7])[OH:86])[C@@H:57]([O:122][C@H:66]6[C@@H:47]([OH:101])[C@H:44]([OH:98])[C@H:37]([OH:91])[C@H:18]([CH3:3])[O:110]6)[C@H:53]([O:119][C@H:69]6[C@H:50]([OH:104])[C@@H:60]([O:126][C@:71]7([C:70](=[O:106])[OH:107])[CH2:8][C@H:23]([OH:87])[C@@H:31]([N:72]=[C:19]([CH3:4])[OH:83])[C@H:54]([C@@H:38]([C@@H:24]([CH2:9][OH:76])[OH:88])[OH:92])[O:125]7)[C@@H:41]([OH:95])[C@@H:27]([CH2:12][OH:79])[O:114]6)[C@@H:30]([CH2:15][OH:82])[O:116]5)[C@@H:40]([OH:94])[C@@H:26]([CH2:11][OH:78])[O:113]4)[C@@H:29]([CH2:14][OH:81])[O:115]3)[C@@H:39]([OH:93])[C@@H:25]([CH2:10][OH:77])[O:112]2)[O:108]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:71642
chebi:71642
HRDFVVYVFCWVPR-XLGKCBSFSA-N 		alpha-Neup5Ac-(2->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-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose
N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminy-(1->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosamine
Neu5Aca2-3Galb1-4(Fuca1-3)GlcNAcb1-3Galb1-4(Fuca1-3)GlcNAcb1-3Galb1-4(Fuca1-3)GlcNAcb
Neu5Acalpha2-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta
O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
alpha-Neu5Ac-(2->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-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc