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beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp

Properties

Image

Occurences in reactions

MNX_ID

MNXM103074

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

formula

C₃₇H₆₂N₂O₂₉

charge

mass

998.34382

reference

chebi:68619

InChIKey

TZCGZHVIEHDVLW-QVBRSFCTSA-N

InChI

InChI=1S/C37H62N2O29/c1-9(44)38-17-11(46)3-37(36(58)59,68-31(17)19(48)12(47)4-40)60-8-16-21(50)30(67-34-26(55)22(51)20(49)13(5-41)62-34)18(39-10(2)45)33(64-16)65-29-15(7-43)63-35(27(56)24(29)53)66-28-14(6-42)61-32(57)25(54)23(28)52/h11-35,40-43,46-57H,3-8H2,1-2H3,(H,38,44)(H,39,45)(H,58,59)/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-,37+/m0/s1

SMILES

CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68619 chebi:68619	beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-alpha-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose Galbeta1-3(Neu5Acalpha2-6)GlcNAcbeta1-4Galbeta1-4Glcbeta N-acetyl-alpha-neuraminosyl-(2->6)-[beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose Neu5Aca2-6(Galb1-3)GlcNAcb1-4Galb1-4Glcb Neu5Acalpha2-6(Galbeta1-3)GlcNAcbeta1-4Galbeta1-4Glcbeta WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2NCC/3=O][Aad21122h-2a_2-6_5NCC/3=O]/1-2-3-2-4/a4-b1_b4-c1_c3-d1_c6-e2 beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-alpha-D-GlcNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc