MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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beta-D-galactosyl-(1->3)-N-acetyl-D-galactosamine

	Properties	Image
MNX_ID	MNXM5638
reference	chebi:546807
formula	C₁₄H₂₅NO₁₁
global charge	0
mol weight	383.35
InChIKey	HMQPEDMEOBLSQB-UITYFYQISA-N
InChI	InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13?,14+/m1/s1
SMILES	CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13?,14+/m1/s1
SMILES (mnx)	[CH3:1][C:4](=[N:15][C@@H:7]1[C@@H:12]([O:26][C@H:14]2[C@H:11]([OH:22])[C@@H:10]([OH:21])[C@@H:8]([OH:19])[C@@H:5]([CH2:2][OH:16])[O:25]2)[C@@H:9]([OH:20])[C@@H:6]([CH2:3][OH:17])[O:24][CH:13]1[OH:23])[OH:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:546807 chebi:546807 HMQPEDMEOBLSQB-UITYFYQISA-N	beta-D-galactosyl-(1->3)-N-acetyl-D-galactosamine (Gal)1 (GalNAc)1 2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactopyranose 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactopyranose Galbeta1-3GalNAc Galbeta1->3GalNAc TF epitope Thomsen-Friedenreich epitope WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2/a3-b1 beta-D-Gal-(1->3)-D-GalNAc beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-galactosamine beta-D-Galp-(1->3)-D-GalpNAc beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranose beta-D-galactosyl-3-N-acetyl-D-galactosamine
kegg.glycan:G10607 keggG:G10607	G10607
seed.compound:cpd04497 seedM:cpd04497 HMQPEDMEOBLSQB-UITYFYQISA-N	beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-galactosamine CPD-16184 beta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine
kegg.compound:C07278 keggC:C07278 HMQPEDMEOBLSQB-UITYFYQISA-N	beta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine beta-D-Galactopyranosyl-(1->3)-N-acetyl-D-galactosamine
metacyc.compound:CPD-16184 metacycM:CPD-16184 HMQPEDMEOBLSQB-UITYFYQISA-N	beta-D-galactosyl-(1->3)-N-acetyl-D-galactosamine 3-O-beta-D-galactosyl-N-acetyl-D-galactosamine D-galactosyl-3-N-acetyl-D-galactosamine T antigen beta-D-Gal-(1->3)-D-GalNAc
chebi:10382 chebi:22773 chebi:22782 chebi:27716 chebi:62468 keggC:M_C07278 keggG:M_G10607 seedM:M_cpd04497	secondary/obsolete/fantasy identifier