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alpha-Neup5,9Ac2-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc

Properties

Image

Occurences in reactions

MNX_ID

MNXM119008

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

formula

C₂₇H₄₄N₂O₂₀

charge

mass

716.24874

reference

chebi:72472

InChIKey

CQJCWCSUDWYBDG-BJHNEYRISA-N

InChI

InChI=1S/C27H44N2O20/c1-8(32)28-15-11(35)4-27(26(42)43,48-22(15)17(37)12(36)7-44-10(3)34)49-23-18(38)13(5-30)46-25(20(23)40)47-21-14(6-31)45-24(41)16(19(21)39)29-9(2)33/h11-25,30-31,35-41H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24+,25-,27-/m0/s1

SMILES

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

Parent-child relations graph

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:72472 chebi:72472	alpha-Neup5,9Ac2-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose N,9-O-diacetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine Neu5,9Ac2a2-3Galb1-4GlcNAcb Neu5,9Ac2alpha2-3Galbeta1-4GlcNAcbeta NeuAc(9Ac)alpha2-3Galbeta1-4GlcNAcbeta alpha-Neu5,9Ac2-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc