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alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-[beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp

Properties

Image

Occurences in reactions

MNX_ID

MNXM119031

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

formula

C₆₄H₁₀₃N₅O₄₈

charge

mass

1709.57725

reference

chebi:72621

InChIKey

BAILJZJFDJQIOQ-QOMVUZQYSA-N

InChI

InChI=1S/C64H103N5O48/c1-17(77)65-33-22(82)6-61(57(97)98,113-49(33)38(87)26(86)10-70)110-28(12-72)40(89)50-34(66-18(2)78)23(83)7-62(114-50,58(99)100)111-29(13-73)41(90)51-35(67-19(3)79)24(84)8-63(115-51,59(101)102)112-30(14-74)42(91)52-36(68-20(4)80)25(85)9-64(116-52,60(103)104)117-53-46(95)56(108-47-31(15-75)105-54(96)45(94)44(47)93)107-32(16-76)48(53)109-55-37(69-21(5)81)43(92)39(88)27(11-71)106-55/h22-56,70-76,82-96H,6-16H2,1-5H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/t22-,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-,49+,50+,51+,52+,53+,54+,55-,56-,61+,62+,63+,64-/m0/s1

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O[C@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72621 chebi:72621	alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-[beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonyl-(2->3)-[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose GalNAcb1-4(Neu5Aca2-8Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3)Galb1-4Glcb N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-[N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucose NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3(GalNAcbeta1-4)Galbeta1-4Glcbeta alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-[beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-beta-D-Glc