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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

Properties

Image

Occurences in reactions

MNX_ID

MNXM102292

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃₁H₂₀₉N₁₉O₈₆

charge

mass

3424.2565

reference

chebi:68425

InChIKey

BYTVOJCHOXXLEY-MVUUXIDISA-N

InChI

InChI=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

SMILES

CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](C(N)=O)O[C@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O[C@H]5[C@@H](C(N)=O)O[C@H](O[C@H]6[C@@H](C(N)=O)O[C@H](O[C@@H]7[C@@H](NC(C)=O)[C@H](O[C@H]8[C@H](O[C@H]9[C@@H](C(N)=O)O[C@H](O[C@H]%10[C@@H](C(N)=O)O[C@H](O[C@@H]%11[C@@H](NC(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](O)C[C@](O)(C(=O)O)O[C@@H]%14[C@H](O)CO)O[C@@H]%13CO)O[C@@H]%12CO)O[C@H](C)[C@H]%11O)[C@H](NC(C)=O)[C@H]%10O)[C@H](NC(C)=O)[C@H]9O)O[C@H](C)[C@@H](NC=O)[C@@H]8O)O[C@H](C)[C@H]7O)[C@H](NC(C)=O)[C@H]6O)[C@H](NC(C)=O)[C@H]5O)O[C@H](C)[C@@H](NC=O)[C@@H]4O)O[C@H](C)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68425 chebi:68425	[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