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N,N-diacetyllegionaminate

PropertiesImage
MNX_IDMNXM12095 Image of MNXM12095
referencechebi:68669
formulaC13H21N2O8
global charge-1
mol weight333.317
InChIKeyZJOSXOOPEBJBMC-DAJNMGJPSA-M
InChIInChI=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
SMILESCC(=O)N[C@@H]([C@@H]1O[C@](O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O)[C@@H](C)O
MNX internals
InChI (mnx)InChI=1/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)/t5-,8+,9-,10-,11+,13+/m1/s1 Image of MNXM12095
SMILES (mnx)[CH3:1][C@H:5]([C@H:9]([C@H:11]1[C@H:10]([N:15]=[C:7]([CH3:3])[OH:18])[C@@H:8]([OH:19])[CH2:4][C@:13]([C:12](=[O:20])[OH:21])([OH:22])[O:23]1)[N:14]=[C:6]([CH3:2])[OH:17])[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68669
chebi:68669
ZJOSXOOPEBJBMC-DAJNMGJPSA-M 		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
ZJOSXOOPEBJBMC-DAJNMGJPSA-M 		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
ZJOSXOOPEBJBMC-DAJNMGJPSA-M 		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
ZJOSXOOPEBJBMC-DAJNMGJPSA-N 		N,N'-Diacetyllegionaminate
Leg5Ac7Ac

CHEBI:68682
chebi:68682
ZJOSXOOPEBJBMC-DAJNMGJPSA-N 		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