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beta-D-GlcpA-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM11835 Image of MNXM11835
referencechebi:77418
formulaC42H65N3O34
global charge0
mol weight1155.969
InChIKeyLFAUBHLTGUFQPC-MWOMZPMVSA-N
InChIInChI=1S/C42H65N3O34/c1-7(49)43-13-26(16(52)10(4-46)69-37(13)68)72-41-24(60)21(57)29(32(78-41)35(64)65)75-39-15(45-9(3)51)28(18(54)12(6-48)71-39)74-42-25(61)22(58)30(33(79-42)36(66)67)76-38-14(44-8(2)50)27(17(53)11(5-47)70-38)73-40-23(59)19(55)20(56)31(77-40)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,37-,38+,39+,40-,41-,42-/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C42H65N3O34/c1-7(49)43-13-26(16(52)10(4-46)69-37(13)68)72-41-24(60)21(57)29(32(78-41)35(64)65)75-39-15(45-9(3)51)28(18(54)12(6-48)71-39)74-42-25(61)22(58)30(33(79-42)36(66)67)76-38-14(44-8(2)50)27(17(53)11(5-47)70-38)73-40-23(59)19(55)20(56)31(77-40)34(62)63/h10-33,37-42,46-48,52-61,68H,4-6H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,62,63)(H,64,65)(H,66,67)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,37-,38+,39+,40-,41-,42-/m1/s1 Image of MNXM11835
SMILES (mnx)[CH3:1][C:7](=[N:43][C@@H:13]1[C@@H:26]([O:72][C@H:41]2[C@H:24]([OH:60])[C@@H:21]([OH:57])[C@H:29]([O:75][C@H:39]3[C@H:15]([N:45]=[C:9]([CH3:3])[OH:51])[C@@H:28]([O:74][C@H:42]4[C@H:25]([OH:61])[C@@H:22]([OH:58])[C@H:30]([O:76][C@H:38]5[C@H:14]([N:44]=[C:8]([CH3:2])[OH:50])[C@@H:27]([O:73][C@H:40]6[C@H:23]([OH:59])[C@@H:19]([OH:55])[C@H:20]([OH:56])[C@@H:31]([C:34](=[O:62])[OH:63])[O:77]6)[C@H:17]([OH:53])[C@@H:11]([CH2:5][OH:47])[O:70]5)[C@@H:33]([C:36](=[O:66])[OH:67])[O:79]4)[C@H:18]([OH:54])[C@@H:12]([CH2:6][OH:48])[O:71]3)[C@@H:32]([C:35](=[O:64])[OH:65])[O:78]2)[C@H:16]([OH:52])[C@@H:10]([CH2:4][OH:46])[O:69][C@H:37]1[OH:68])[OH:49]
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:77418
chebi:77418
LFAUBHLTGUFQPC-MWOMZPMVSA-N 		beta-D-GlcpA-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNAc
(beta-D-glucopyranosyluronic acid)-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-(beta-D-glucopyranosyluronic acid)-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-(beta-D-glucopyranosyluronic acid)-(1->3)-2-acetamido-2-deoxy-beta--glucopyranose
WURCS=2.0/2,6,5/[a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-1-2-1-2/a3-b1_b4-c1_c3-d1_d4-e1_e3-f1
beta-D-GlcA-(1->3)-beta-D-GlcNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-GlcNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-GlcNAc
beta-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-beta--glucopyranose
beta-D-glucuronosyl-(1->3)-N-acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-N-acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-N-acetyl-D-glucosamine

CHEBI:149021
chebi:149021
LFAUBHLTGUFQPC-PPTIFWKLSA-N 		(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
GlcA(b1-3)GlcNAc(b1-4)GlcA(b1-3)GlcNAc(b1-4)GlcA(b1-3)GlcNAc
WURCS=2.0/3,6,5/[a2122h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a3-b1_b4-c1_c3-d1_d4-e1_e3-f1
beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranose