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N,N-diacetyllegionaminate

Properties

Image

Occurences in reactions

MNX_ID

MNXM12095

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₁₃H₂₁N₂O₈

charge

-1

mass

333.13034

reference

chebi:68669

InChIKey

ZJOSXOOPEBJBMC-DAJNMGJPSA-M

InChI

InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/p-1/t5-,8+,9-,10-,11+,13+/m1/s1

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)[O-])O[C@H]1[C@H](NC(C)=O)[C@@H](C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68669 chebi:68669	N,N-diacetyllegionaminate (6S)-5-acetamido-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-3,5-dideoxy-alpha-L-threo-hex-2-ulopyranosonate 5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-galacto-non-2-ulosonate 5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate N,N-diacetyllegionaminate anion N,N-diacetyllegionaminate(1-)
metacyc.compound:CPD-13166 metacycM:CPD-13166	5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-galacto-nonulopyranosonate 5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-galacto-nonulopyranosonic acid Leg5Ac7Ac N, N'-diacetyllegionaminate N, N'-diacetyllegionaminic acid
seed.compound:cpd23763 seedM:cpd23763	5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-galacto-nonulopyranosonic acid 5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-D-galacto-nonulopyranosonate Leg5Ac7Ac N, N'-diacetyllegionaminate N, N'-diacetyllegionaminic acid N,N'-Diacetyllegionaminate legionaminate legionaminic acid
kegg.compound:C20418 keggC:C20418	N,N'-Diacetyllegionaminate
CHEBI:68682 chebi:68682	N,N-diacetyllegionaminic acid (6S)-5-acetamido-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-3,5-dideoxy-alpha-L-threo-hex-2-ulopyranosonic acid 5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid
keggC:M_C20418 seedM:M_cpd23763	secondary/obsolete/fantasy identifier