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alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl-(1->3)-L-Ser

PropertiesImage
MNX_IDMNXM102520 Image of MNXM102520
referencechebi:65140
formulaC48H77N3O39
global charge0
mol weight1320.126
InChIKeyASSJVPACSYYHOZ-PVQABIFQSA-N
InChIInChI=1S/C48H77N3O39/c1-9(56)50-17-23(62)19(58)12(3-52)79-42(17)87-35-25(64)28(67)45(89-37(35)40(73)74)84-32-15(6-55)82-43(18(24(32)63)51-10(2)57)88-36-26(65)29(68)46(90-38(36)41(75)76)85-34-22(61)14(5-54)81-48(31(34)70)86-33-21(60)13(4-53)80-47(30(33)69)83-16-8-78-44(27(66)20(16)59)77-7-11(49)39(71)72/h11-38,42-48,52-55,58-70H,3-8,49H2,1-2H3,(H,50,56)(H,51,57)(H,71,72)(H,73,74)(H,75,76)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,42+,43+,44+,45+,46+,47-,48-/m0/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5CO[C@@H](OC[C@H](N)C(=O)O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3O)O[C@@H]2C(=O)O)O[C@H](CO)[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]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C48H77N3O39/c1-9(56)50-17-23(62)19(58)12(3-52)79-42(17)87-35-25(64)28(67)45(89-37(35)40(73)74)84-32-15(6-55)82-43(18(24(32)63)51-10(2)57)88-36-26(65)29(68)46(90-38(36)41(75)76)85-34-22(61)14(5-54)81-48(31(34)70)86-33-21(60)13(4-53)80-47(30(33)69)83-16-8-78-44(27(66)20(16)59)77-7-11(49)39(71)72/h11-38,42-48,52-55,58-70H,3-8,49H2,1-2H3,(H,50,56)(H,51,57)(H,71,72)(H,73,74)(H,75,76)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,42+,43+,44+,45+,46+,47-,48-/m0/s1 Image of MNXM102520
SMILES (mnx)[CH3:1][C:9](=[N:50][C@@H:17]1[C@@H:23]([OH:62])[C@H:19]([OH:58])[C@@H:12]([CH2:3][OH:52])[O:79][C@@H:42]1[O:87][C@H:35]1[C@H:25]([OH:64])[C@@H:28]([OH:67])[C@H:45]([O:84][C@@H:32]2[C@@H:15]([CH2:6][OH:55])[O:82][C@H:43]([O:88][C@H:36]3[C@H:26]([OH:65])[C@@H:29]([OH:68])[C@H:46]([O:85][C@H:34]4[C@@H:22]([OH:61])[C@@H:14]([CH2:5][OH:54])[O:81][C@@H:48]([O:86][C@H:33]5[C@@H:21]([OH:60])[C@@H:13]([CH2:4][OH:53])[O:80][C@@H:47]([O:83][C@@H:16]6[CH2:8][O:78][C@@H:44]([O:77][CH2:7][C@@H:11]([C:39](=[O:71])[OH:72])[NH2:49])[C@H:27]([OH:66])[C@H:20]6[OH:59])[C@@H:30]5[OH:69])[C@@H:31]4[OH:70])[O:90][C@@H:38]3[C:41](=[O:75])[OH:76])[C@H:18]([N:51]=[C:10]([CH3:2])[OH:57])[C@H:24]2[OH:63])[O:89][C@@H:37]1[C:40](=[O:73])[OH:74])[OH:56]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:65140
chebi:65140
ASSJVPACSYYHOZ-PVQABIFQSA-N 		alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl-(1->3)-L-Ser
(2S)-3-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-beta-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-xylopyranosyl]oxy}-2-aminopropanoic acid
(Gal)2 (GlcA)2 (GlcNAc)2 (Xyl)1 (Ser)1
3-O-[2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-beta-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-xylopyranosyl]-L-serine
N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl-(1->3)-L-serine
alpha-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->4)-alpha-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Xylp-(1->3)-L-Ser

seed.compound:cpd21615
seedM:cpd21615 		(Gal)2(GlcA)2(GlcNAc)2(Xyl)1(Ser)1

seedM:M_cpd21615 		secondary/obsolete/fantasy identifier