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beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->4)-[alpha-D-GlcpNAc-(1->2)-L-alpha-D-Hepp-(1->3)]-L-alpha-D-Hepp-(1->5)-Kdo

PropertiesImage
MNX_IDMNXM152721 Image of MNXM152721
referencechebi:77378
formulaC50H84N2O40
global charge0
mol weight1353.196
InChIKeyOYZIYLAESFVNBZ-ILIXBLGPSA-N
InChIInChI=1S/C50H84N2O40/c1-11(60)51-21-26(69)23(66)17(7-56)80-43(21)88-39-25(68)19(9-58)82-46(32(39)75)87-38-20(10-59)83-45(31(74)30(38)73)91-42-36(15(64)5-54)86-47(85-35-13(62)3-50(79,49(77)78)92-37(35)16(65)6-55)33(76)40(42)89-48-41(29(72)28(71)34(84-48)14(63)4-53)90-44-22(52-12(2)61)27(70)24(67)18(8-57)81-44/h13-48,53-59,62-76,79H,3-10H2,1-2H3,(H,51,60)(H,52,61)(H,77,78)/t13-,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-,39+,40-,41+,42-,43+,44-,45+,46+,47+,48-,50?/m1/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H](O[C@H]5[C@@H]([C@H](O)CO)OC(O)(C(=O)O)C[C@H]5O)O[C@@H]4[C@@H](O)CO)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C50H84N2O40/c1-11(60)51-21-26(69)23(66)17(7-56)80-43(21)88-39-25(68)19(9-58)82-46(32(39)75)87-38-20(10-59)83-45(31(74)30(38)73)91-42-36(15(64)5-54)86-47(85-35-13(62)3-50(79,49(77)78)92-37(35)16(65)6-55)33(76)40(42)89-48-41(29(72)28(71)34(84-48)14(63)4-53)90-44-22(52-12(2)61)27(70)24(67)18(8-57)81-44/h13-48,53-59,62-76,79H,3-10H2,1-2H3,(H,51,60)(H,52,61)(H,77,78)/t13-,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-,39+,40-,41+,42-,43+,44-,45+,46+,47+,48-,50?/m1/s1 Image of MNXM152721
SMILES (mnx)[CH3:1][C:11](=[N:51][C@@H:21]1[C@@H:26]([OH:69])[C@H:23]([OH:66])[C@@H:17]([CH2:7][OH:56])[O:80][C@H:43]1[O:88][C@H:39]1[C@@H:25]([OH:68])[C@@H:19]([CH2:9][OH:58])[O:82][C@@H:46]([O:87][C@@H:38]2[C@@H:20]([CH2:10][OH:59])[O:83][C@@H:45]([O:91][C@@H:42]3[C@@H:36]([C@H:15]([CH2:5][OH:54])[OH:64])[O:86][C@H:47]([O:85][C@@H:35]4[C@H:13]([OH:62])[CH2:3][C:50]([C:49](=[O:77])[OH:78])([OH:79])[O:92][C@@H:37]4[C@@H:16]([CH2:6][OH:55])[OH:65])[C@@H:33]([OH:76])[C@H:40]3[O:89][C@@H:48]3[C@@H:41]([O:90][C@@H:44]4[C@H:22]([N:52]=[C:12]([CH3:2])[OH:61])[C@@H:27]([OH:70])[C@H:24]([OH:67])[C@@H:18]([CH2:8][OH:57])[O:81]4)[C@@H:29]([OH:72])[C@H:28]([OH:71])[C@@H:34]([C@H:14]([CH2:4][OH:53])[OH:63])[O:84]3)[C@H:31]([OH:74])[C@H:30]2[OH:73])[C@@H:32]1[OH:75])[OH:60]
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:77378
chebi:77378
OYZIYLAESFVNBZ-ILIXBLGPSA-N 		beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->4)-[alpha-D-GlcpNAc-(1->2)-L-alpha-D-Hepp-(1->3)]-L-alpha-D-Hepp-(1->5)-Kdo
2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-(5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranosyl-(1->5)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-L-erythro-hex-2-ulopyranosonic acid
2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-L-glycero-alpha-D-manno-heptopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)-3-deoxy-D-manno-oct-2-ulopyranosonic acid
N-acetyl-alpha-D-glucosaminyl-(1->2)-L-glycero-alpha-D-manno-heptosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->4)]-L-glycero-alpha-D-manno-heptosyl-(1->5)-3-deoxy-D-manno-oct-2-ulosonic acid
beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1->4)-[alpha-D-GlcNAc-(1->2)-L-alpha-D-Hep-(1->3)]-L-alpha-D-Hep-(1->5)-Kdo