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[beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->2)]2-beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->4)-[alpha-D-GalN-(1->2)]-[alpha-D-Glc-(1->3)]-beta-D-Man-(1->4)-[beta-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo

PropertiesImage
MNX_IDMNXM102292 Image of MNXM102292
referencechebi:68425
formulaC131H209N19O86
global charge0
mol weight3426.16
InChIKeyBYTVOJCHOXXLEY-MVUUXIDISA-N
InChIInChI=1S/C131H209N19O86/c1-26-49(139-23-157)68(178)79(189)123(202-26)222-93-74(184)55(145-35(10)163)117(232-103(93)110(136)196)219-90-72(182)53(143-33(8)161)115(230-100(90)107(133)193)217-88-59(149-39(14)167)121(206-30(5)62(88)172)225-96-69(179)50(140-24-158)28(3)204-127(96)224-95-76(186)57(147-37(12)165)119(234-105(95)112(138)198)221-92-73(183)54(144-34(9)162)116(231-102(92)109(135)195)218-89-60(150-40(15)168)122(207-31(6)63(89)173)226-97-70(180)51(141-25-159)27(2)203-126(97)223-94-75(185)56(146-36(11)164)118(233-104(94)111(137)197)220-91-71(181)52(142-32(7)160)114(229-101(91)108(134)194)216-87-58(148-38(13)166)120(205-29(4)61(87)171)215-86-47(22-156)212-129(106(235-113-48(132)67(177)64(174)43(18-152)208-113)99(86)228-125-81(191)78(188)66(176)45(20-154)210-125)214-85-46(21-155)211-128(98(82(85)192)227-124-80(190)77(187)65(175)44(19-153)209-124)213-83-41(169)16-131(201,130(199)200)236-84(83)42(170)17-151/h23-31,41-106,113-129,151-156,169-192,201H,16-22,132H2,1-15H3,(H2,133,193)(H2,134,194)(H2,135,195)(H2,136,196)(H2,137,197)(H2,138,198)(H,139,157)(H,140,158)(H,141,159)(H,142,160)(H,143,161)(H,144,162)(H,145,163)(H,146,164)(H,147,165)(H,148,166)(H,149,167)(H,150,168)(H,199,200)/t26-,27-,28-,29-,30-,31-,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+,70+,71-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,99+,100+,101+,102+,103+,104+,105+,106+,113-,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125-,126+,127+,128-,129+,131-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]3[C@H](O)[C@@H](C)O[C@@H](O[C@H]4[C@H](O[C@@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]7[C@H](O)[C@@H](C)O[C@@H](O[C@H]8[C@H](O[C@@H]9[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]%10[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]%11[C@H](O)[C@@H](C)O[C@@H](O[C@H]%12[C@H](O[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%13O)[C@H](O[C@H]%13O[C@H](CO)[C@H](O)[C@H](O)[C@H]%13N)[C@H](O[C@H]%13[C@H](O)[C@H](O[C@@H]%14O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%14O)[C@@H](O[C@H]%14[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]%14O)O[C@@H]%13CO)O[C@@H]%12CO)[C@@H]%11NC(C)=O)O[C@@H]%10C(N)=O)O[C@@H]9C(N)=O)O[C@H](C)[C@@H](NC=O)[C@@H]8O)[C@@H]7NC(C)=O)O[C@@H]6C(N)=O)O[C@@H]5C(N)=O)O[C@H](C)[C@@H](NC=O)[C@@H]4O)[C@@H]3NC(C)=O)O[C@@H]2C(N)=O)O[C@H](C(N)=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@H]2O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C131H209N19O86/c1-26-49(139-23-157)68(178)79(189)123(202-26)222-93-74(184)55(145-35(10)163)117(232-103(93)110(136)196)219-90-72(182)53(143-33(8)161)115(230-100(90)107(133)193)217-88-59(149-39(14)167)121(206-30(5)62(88)172)225-96-69(179)50(140-24-158)28(3)204-127(96)224-95-76(186)57(147-37(12)165)119(234-105(95)112(138)198)221-92-73(183)54(144-34(9)162)116(231-102(92)109(135)195)218-89-60(150-40(15)168)122(207-31(6)63(89)173)226-97-70(180)51(141-25-159)27(2)203-126(97)223-94-75(185)56(146-36(11)164)118(233-104(94)111(137)197)220-91-71(181)52(142-32(7)160)114(229-101(91)108(134)194)216-87-58(148-38(13)166)120(205-29(4)61(87)171)215-86-47(22-156)212-129(106(235-113-48(132)67(177)64(174)43(18-152)208-113)99(86)228-125-81(191)78(188)66(176)45(20-154)210-125)214-85-46(21-155)211-128(98(82(85)192)227-124-80(190)77(187)65(175)44(19-153)209-124)213-83-41(169)16-131(201,130(199)200)236-84(83)42(170)17-151/h23-31,41-106,113-129,151-156,169-192,201H,16-22,132H2,1-15H3,(H2,133,193)(H2,134,194)(H2,135,195)(H2,136,196)(H2,137,197)(H2,138,198)(H,139,157)(H,140,158)(H,141,159)(H,142,160)(H,143,161)(H,144,162)(H,145,163)(H,146,164)(H,147,165)(H,148,166)(H,149,167)(H,150,168)(H,199,200)/t26-,27-,28-,29-,30-,31-,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+,70+,71-,72-,73-,74-,75-,76-,77+,78+,79-,80-,81-,82+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,99+,100+,101+,102+,103+,104+,105+,106+,113-,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125-,126+,127+,128-,129+,131-/m1/s1 Image of MNXM102292
SMILES (mnx)[CH3:1][C@@H:26]1[C@@H:49]([N:139]=[CH:23][OH:157])[C@H:68]([OH:178])[C@@H:79]([OH:189])[C@H:123]([O:222][C@@H:93]2[C@H:74]([OH:184])[C@@H:55]([N:145]=[C:35]([CH3:10])[OH:163])[C@@H:117]([O:219][C@@H:90]3[C@H:72]([OH:182])[C@@H:53]([N:143]=[C:33]([CH3:8])[OH:161])[C@@H:115]([O:217][C@@H:88]4[C@@H:59]([N:149]=[C:39]([CH3:14])[OH:167])[C@H:121]([O:225][C@@H:96]5[C@@H:69]([OH:179])[C@H:50]([N:140]=[CH:24][OH:158])[C@@H:28]([CH3:3])[O:204][C@H:127]5[O:224][C@@H:95]5[C@H:76]([OH:186])[C@@H:57]([N:147]=[C:37]([CH3:12])[OH:165])[C@@H:119]([O:221][C@@H:92]6[C@H:73]([OH:183])[C@@H:54]([N:144]=[C:34]([CH3:9])[OH:162])[C@@H:116]([O:218][C@@H:89]7[C@@H:60]([N:150]=[C:40]([CH3:15])[OH:168])[C@H:122]([O:226][C@@H:97]8[C@@H:70]([OH:180])[C@H:51]([N:141]=[CH:25][OH:159])[C@@H:27]([CH3:2])[O:203][C@H:126]8[O:223][C@@H:94]8[C@H:75]([OH:185])[C@@H:56]([N:146]=[C:36]([CH3:11])[OH:164])[C@@H:118]([O:220][C@@H:91]9[C@H:71]([OH:181])[C@@H:52]([N:142]=[C:32]([CH3:7])[OH:160])[C@@H:114]([O:216][C@@H:87]%10[C@@H:58]([N:148]=[C:38]([CH3:13])[OH:166])[C@H:120]([O:215][C@@H:86]%11[C@@H:47]([CH2:22][OH:156])[O:212][C@@H:129]([O:214][C@@H:85]%12[C@@H:46]([CH2:21][OH:155])[O:211][C@H:128]([O:213][C@@H:83]%13[C@H:41]([OH:169])[CH2:16][C@@:131]([C:130](=[O:199])[OH:200])([OH:201])[O:236][C@@H:84]%13[C@@H:42]([CH2:17][OH:151])[OH:170])[C@@H:98]([O:227][C@H:124]%13[C@H:80]([OH:190])[C@@H:77]([OH:187])[C@H:65]([OH:175])[C@@H:44]([CH2:19][OH:153])[O:209]%13)[C@H:82]%12[OH:192])[C@@H:106]([O:235][C@@H:113]%12[C@H:48]([NH2:132])[C@@H:67]([OH:177])[C@@H:64]([OH:174])[C@@H:43]([CH2:18][OH:152])[O:208]%12)[C@H:99]%11[O:228][C@@H:125]%11[C@H:81]([OH:191])[C@@H:78]([OH:188])[C@H:66]([OH:176])[C@@H:45]([CH2:20][OH:154])[O:210]%11)[O:205][C@H:29]([CH3:4])[C@H:61]%10[OH:171])[O:229][C@@H:101]9[C:108](=[NH:134])[OH:194])[O:233][C@@H:104]8[C:111](=[NH:137])[OH:197])[O:207][C@H:31]([CH3:6])[C@H:63]7[OH:173])[O:231][C@@H:102]6[C:109](=[NH:135])[OH:195])[O:234][C@@H:105]5[C:112](=[NH:138])[OH:198])[O:206][C@H:30]([CH3:5])[C@H:62]4[OH:172])[O:230][C@@H:100]3[C:107](=[NH:133])[OH:193])[O:232][C@@H:103]2[C:110](=[NH:136])[OH:196])[O:202]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:68425
chebi:68425
BYTVOJCHOXXLEY-MVUUXIDISA-N 		[beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->2)]2-beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->4)-[alpha-D-GalN-(1->2)]-[alpha-D-Glc-(1->3)]-beta-D-Man-(1->4)-[beta-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo
4,6-dideoxy-4-formamido-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranuronamidyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranuronamidyl-(1->3)-2-acetamido-2,6-dideoxy-beta-D-glucopyranosyl-(1->2)-4,6-dideoxy-4-formamido-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranuronamidyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranuronamidyl-(1->3)-2-acetamido-2,6-dideoxy-beta-D-glucopyranosyl-(1->2)-4,6-dideoxy-4-formamido-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranuronamidyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galactopyranuronamidyl-(1->3)-2-acetamido-2,6-dideoxy-beta-D-glucopyranosyl-(1->4)-[2-deoxy-2-amino-alpha-D-galactopyranosyl-(1->2)]-[alpha-D-glucopyranosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-alpha-D-mannopyranosyl-(1->5)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
4,6-dideoxy-4-formamido-beta-D-glucosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galacturonamidyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galacturonamidyl-(1->3)-2-acetamido-2,6-dideoxy-beta-D-glucosyl-(1->2)-4,6-dideoxy-4-formamido-beta-D-glucosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galacturonamidyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galacturonamidyl-(1->3)-2-acetamido-2,6-dideoxy-beta-D-glucosyl-(1->2)-4,6-dideoxy-4-formamido-beta-D-glucosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galacturonamidyl-(1->4)-2-acetamido-2-deoxy-alpha-D-galacturonamidyl-(1->3)-2-acetamido-2,6-dideoxy-beta-D-glucosyl-(1->4)-[2-deoxy-2-amino-alpha-D-galactosyl-(1->2)]-[alpha-D-glucosyl-(1->3)]-beta-D-mannosyl-(1->4)-[beta-D-glucosyl-(1->2)]-alpha-D-mannosyl-(1->5)-3-deoxy-alpha-D-manno-oct-2-ulosonic acid
beta-D-QuipN4Fm-(1->4)-alpha-D-GalpNAcAN-(1->4)-alpha-D-GalpNAcAN-(1->3)-beta-D-QuipNAc-(1->2)-beta-D-QuipN4Fm-(1->4)-alpha-D-GalpNAcAN-(1->4)-alpha-D-GalpNAcAN-(1->3)-beta-D-QuipNAc-(1->2)-beta-D-QuipN4Fm-(1->4)-alpha-D-GalpNAcAN-(1->4)-alpha-D-GalpNAcAN-(1->3)-beta-D-QuipNAc-(1->4)-[alpha-D-GalpN-(1->2)]-[alpha-D-Glcp-(1->3)]-beta-D-Manp-(1->4)-[beta-D-Glcp-(1->2)]-alpha-D-Manp-(1->5)-alpha-Kdo