Molecule

N-Acetylglycine

AlkaPlorer ID: AK014203

Synonym: Acetylaminoacetic acid, Aceturic acid, Acetylglycocoll, Acetamidoacetic acid

IUPAC Name: 2-acetamidoacetic acid

SMILES: CC(O)=NCC(=O)O

InChI: InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

InChIKey: OKJIRPAQVSHGFK-UHFFFAOYSA-N

PubChem CID: 168787877

CAS: 140907-90-0

LOTUS: LTS0227871

SuperNatural Ⅲ: SN0267854

NPASS: NPC260324

COCONUT: CNP0232085

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Shigella dysenteriae	Shigella	Enterobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota

Molecule Weight: 117.10399999999998

TPSA？: 69.89

MolLogP？: 0.0473999999999997

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Peptidyl-glycine alpha-amidating monooxygenase	Km	7500000.0	nM	10.1016/j.bmcl.2012.10.004
Homo sapiens	Peptidyl-glycine alpha-amidating monooxygenase	Km	9900000.0	nM	10.1016/j.bmcl.2012.10.004
Micrococcus luteus	Micrococcus luteus	Ki	29000000.0	nM	10.1021/jm00121a018
Rattus norvegicus	Peptidyl-glycine alpha-amidating monooxygenase	Activity	0.1	None	10.1016/j.bmc.2008.10.013
Rattus norvegicus	Peptidyl-glycine alpha-amidating monooxygenase	Km	9300000.0	nM	10.1016/j.bmc.2008.10.013
Rattus norvegicus	Peptidyl-glycine alpha-amidating monooxygenase	Ratio	8.6	10'2/M/s	10.1016/j.bmc.2008.10.013
Rattus norvegicus	Peptidyl-glycine alpha-amidating monooxygenase	Vmax(app)	8.0	/s	10.1016/j.bmc.2008.10.013
None	No relevant target	pKa	3.6	None	10.1021/jm00354a013
None	Unchecked	Affinity	80.0	M-1	10.1021/jm990361t
None	Unchecked	Inhibition	nan	%	10.1038/nchembio.155

AKRT ID	Reaction	Reaction Link ID
AKRT002375	CC(=O)NCC(=O)NCC(=O)O>>CC(=O)NCC(=O)O	enzymemap_67998
AKRT002377	CC(=O)NCC(=O)N[C@@H](C)C(=O)O>>CC(=O)NCC(=O)O	enzymemap_68080
AKRT002379	CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O>>CC(=O)NCC(=O)O	enzymemap_67991
AKRT002381	CC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O>>CC(=O)NCC(=O)O	enzymemap_74537
AKRT002384	CC(=O)NCC(=O)O>>CC(=O)NC(O)C(=O)O	enzymemap_14551
AKRT002385	CC(=O)NCC(=O)O>>CC(=O)N[C@@H](O)C(=O)O	59296
AKRT002386	CC(=O)NCC(=O)O>>CC(=O)O	49796
AKRT002387	CC(=O)NCC(=O)O>>CC(=O)O.NCC(=O)O	None
AKRT002388	CC(=O)NCC(=O)O>>NCC(=O)O	49796
AKRT002389	CC(=O)NCC(=O)O[C@H](Cc1ccccc1)C(=O)O>>CC(=O)NCC(=O)O	enzymemap_67459
AKRT002390	CC(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1>>CC(=O)NCC(=O)O	enzymemap_71815
AKRT004400	CC(=O)[32S].NCC(=O)O>>CC(=O)NCC(=O)O	None
AKRT004616	CC(=O)[CoA].NCC(=O)O>>CC(=O)NCC(=O)O	64244
AKRT009713	CCOC(=O)CNC(C)=O>>CC(=O)NCC(=O)O	enzymemap_72520