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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_IDMNXM152709 Image of MNXM152709
referencechebi:77382
formulaC36H61NO30
global charge0
mol weight987.861
InChIKeyNKNWYGUTMQXMGK-MMPXUFKBSA-N
InChIInChI=1S/C36H61NO30/c1-8(43)37-15-18(50)16(48)13(6-41)59-31(15)65-29-21(53)20(52)24(10(45)3-38)61-34(29)64-28-23(55)33(62-25-9(44)2-36(58,35(56)57)67-27(25)12(47)5-40)63-26(11(46)4-39)30(28)66-32-22(54)19(51)17(49)14(7-42)60-32/h9-34,38-42,44-55,58H,2-7H2,1H3,(H,37,43)(H,56,57)/t9-,10+,11+,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,36?/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@H]4[C@@H]([C@H](O)CO)OC(O)(C(=O)O)C[C@H]4O)O[C@H]([C@@H](O)CO)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C36H61NO30/c1-8(43)37-15-18(50)16(48)13(6-41)59-31(15)65-29-21(53)20(52)24(10(45)3-38)61-34(29)64-28-23(55)33(62-25-9(44)2-36(58,35(56)57)67-27(25)12(47)5-40)63-26(11(46)4-39)30(28)66-32-22(54)19(51)17(49)14(7-42)60-32/h9-34,38-42,44-55,58H,2-7H2,1H3,(H,37,43)(H,56,57)/t9-,10+,11+,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,36?/m1/s1 Image of MNXM152709
SMILES (mnx)[CH3:1][C:8](=[N:37][C@@H:15]1[C@@H:18]([OH:50])[C@H:16]([OH:48])[C@@H:13]([CH2:6][OH:41])[O:59][C@@H:31]1[O:65][C@H:29]1[C@@H:21]([OH:53])[C@H:20]([OH:52])[C@@H:24]([C@H:10]([CH2:3][OH:38])[OH:45])[O:61][C@@H:34]1[O:64][C@@H:28]1[C@H:23]([OH:55])[C@@H:33]([O:62][C@@H:25]2[C@H:9]([OH:44])[CH2:2][C:36]([C:35](=[O:56])[OH:57])([OH:58])[O:67][C@@H:27]2[C@@H:12]([CH2:5][OH:40])[OH:47])[O:63][C@H:26]([C@H:11]([CH2:4][OH:39])[OH:46])[C@H:30]1[O:66][C@H:32]1[C@H:22]([OH:54])[C@@H:19]([OH:51])[C@H:17]([OH:49])[C@@H:14]([CH2:7][OH:42])[O:60]1)[OH:43]
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:77382
chebi:77382
NKNWYGUTMQXMGK-MMPXUFKBSA-N 		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)-[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)-[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)-[beta-D-glucosyl-(1->4)]-L-glycero-alpha-D-manno-heptosyl-(1->5)-3-deoxy-D-manno-oct-2-ulosonic acid
beta-D-Glc-(1->4)-[alpha-D-GlcNAc-(1->2)-3-PEA-L-alpha-D-Hep-(1->3)]-L-alpha-D-Hep-(1->5)-Kdo [Click on the icon to display the ASCII name]