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

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pseudaminate

	Properties	Image
MNX_ID	MNXM3087
reference	chebi:63282
formula	C₁₃H₂₁N₂O₈
global charge	-1
mol weight	333.317
InChIKey	ZJOSXOOPEBJBMC-LJRWBPDUSA-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-/m0/s1
SMILES	CC(=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-/m0/s1
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
Identifier	Description
CHEBI:63282 chebi:63282 ZJOSXOOPEBJBMC-LJRWBPDUSA-M	pseudaminate 5,7-bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonate 5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonate pseudaminate anion pseudaminate(1-)
seed.compound:cpd21315 seedM:cpd21315 ZJOSXOOPEBJBMC-LJRWBPDUSA-M	Pseudaminic acid 5,7-Bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid 5,7-bis(acetamido)-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid 5,7-bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid 5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-nonulosonate 5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-nonulosonic acid pseudaminate pseudaminic acid
kegg.compound:C20082 keggC:C20082 ZJOSXOOPEBJBMC-LJRWBPDUSA-N	Pseudaminic acid 5,7-Bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid Pse5Ac7Ac
metacyc.compound:CPD-10754 metacycM:CPD-10754 ZJOSXOOPEBJBMC-LJRWBPDUSA-M	pseudaminate 5,7-bis(acetamido)-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid 5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-nonulosonate 5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-nonulosonic acid Pse5Ac7Ac pseudaminic acid
CHEBI:63281 chebi:63281 ZJOSXOOPEBJBMC-LJRWBPDUSA-N	pseudaminic acid 5,7-Bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-2-nonulopyranosonic acid 5,7-bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid 5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid Pse
keggC:M_C20082 seedM:M_cpd21315	secondary/obsolete/fantasy identifier