acompound

Showing entry for N-Acetylneuraminic Acid

General Compound Information
BXGC Id	BXGC0039153
Compound Name	N-Acetylneuraminic Acid
Structure
Formula	C11H19NO9
InchiKey	SQVRNKJHWKZAKO-PFQGKNLYSA-N
SMILES	OC[C@H]([C@H]([C@@H]1O[C@@](O)(C[C@@H]([C@H]1N=C(O)C)O)C(=O)O)O)O
Inchi	InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
IUPAC	(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular Weight	309.11
Pubchem Id	445063
Chembl Id	CHEMBL165084

Targets of Information Source

DrugBank

DB04265

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Q02834	BXGT012675	Sialidase	reviewed	-	nedA	experimental	-
Q04830	BXGT012788	Tail spike protein	reviewed	-	-	experimental	-
P12564	BXGT007829	Hemagglutinin-neuraminidase	reviewed	-	HN	experimental	-
P04958	BXGT006288	Tetanus toxin	reviewed	-	tetX	experimental	-

PDB

SLB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
P04958	BXGT006288	Tetanus toxin	reviewed	tetX	-	-	-	-	-
Q9Q2W5	BXGT021361	Hemagglutinin-neuraminidase	reviewed	HN	-	-	-	-	-
Q04830	BXGT012788	Tail spike protein	reviewed		-	-	-	-	-
Q6WJ03	BXGT016592	Hemagglutinin-neuraminidase glycoprotein	unreviewed	HN	-	-	-	-	-
Q02834	BXGT012675	Sialidase	reviewed	nedA	-	-	-	-	-
O00602	BXGT003940	Ficolin-1	reviewed	FCN1	Signaling	-	-	-	-
P44542	BXGT010431	Sialic acid-binding periplasmic protein SiaP	reviewed	siaP	-	-	-	-	-
P46085	BXGT010505	Hemagglutinin components HA-70 type C	reviewed	HA-70	-	-	-	-	-
P0DPR0	BXGT022696	Main hemagglutinin component type C	reviewed	HA-33	-	-	-	-	-
P44542	BXGT010431	Sialic acid-binding periplasmic protein SiaP	reviewed	siaP	-	-	-	28	-
Q8A712	BXGT017850	2-keto-3-deoxy-D-glycero-D-galacto-9-phosphonononic acid phosphatase	reviewed	BT_1713	-	-	-	-	-
P19321	BXGT008471	Botulinum neurotoxin type D	reviewed	botD	-	-	-	-	-
P18640	BXGT008417	Botulinum neurotoxin type C	reviewed		-	-	-	-	-
Q194T1	BXGT013742	Neuraminidase	unreviewed	NA	-	-	-	-	-
I7HXG2	BXGT003727	Phi92_gp143	unreviewed	PHI92_gene_143	-	-	-	-	-
Q8RDN9	BXGT018707	N-acetylneuraminate-binding protein	unreviewed	FN1472	-	-	-	45.5	-
B4EZY7	BXGT002130	Putative sodium:solute symporter	unreviewed	PMI2976	-	-	-	-	-
Q7VL18	BXGT017160	Putative ABC transporter periplasmic binding protein	unreviewed	HD_1669	-	-	-	133	-
P44542	BXGT010431	Sialic acid-binding periplasmic protein SiaP	reviewed	siaP	-	-	-	42000	-
P44542	BXGT010431	Sialic acid-binding periplasmic protein SiaP	reviewed	siaP	-	-	-	30	-
P0A8W0	BXGT025107	HTH-type transcriptional repressor NanR	reviewed	nanR	-	-	-	-	-
A4ZKM1	BXGT024010	Fiber	unreviewed		-	-	-	-	-

Binding DB

50063302

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT006083	Neuraminidase	reviewed		NA	-	1000000	-	-
reviewed	BXGT006079	Neuraminidase	reviewed		NA	-	1000000	-	-

CHEMBL

CHEMBL165084

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P03474	BXGT006083	Neuraminidase	reviewed	-	NA	IC50	'='	1000000	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	125892	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	125892	nM
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	IC50	'='	1000000	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01972	Ficus simplicissima	Ficus simplicissima	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}