Molecule

L-aspartic acid 4-semialdehyde

AlkaPlorer ID: AK019960

Synonym: '', 'L-Aspartic 4-semialdehyde', 'L-Aspartate 4-semialdehyde'

IUPAC Name: (2S)-2-amino-4-oxobutanoic acid

Structure

SMILES: N[C@@H](CC=O)C(=O)O

InChI: InChI=1S/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1

InChIKey: HOSWPDPVFBCLSY-VKHMYHEASA-N

Reference

Multivalent Repression of Aspartic Semialdehyde Dehydrogenase in <i>Escherichia coli</i> K-12

PubChem CID: 5287708

CAS: 15106-57-7

LOTUS: LTS0097459

SuperNatural Ⅲ: SN0131387-01

NPASS: NPC309658

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Saccharomyces cerevisiae	Saccharomyces	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 117.10399999999998

TPSA？: 80.39

MolLogP？: -1.0127000000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli K-12	Dihydrodipicolinate synthase	Kic	31.0	uM	10.1039/C9MD00107G
Escherichia coli K-12	Dihydrodipicolinate synthase	Kiuc	26.0	uM	10.1039/C9MD00107G
None	Unchecked	Ki	14000000.0	nM	10.1016/j.bmcl.2007.11.026

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002102	CC(=O)C(=O)O.NCC[C@H](N)C(=O)O>>N[C@@H](CC=O)C(=O)O	2.6.1.46-RXN
AKRT002112	CC(=O)C(=O)O.N[C@@H](CC=O)C(=O)O>>O=C(O)C1=N[C@H](C(=O)O)CC=C1	MNXR179325
AKRT002113	CC(=O)C(=O)O.N[C@@H](CC=O)C(=O)O>>O=C(O)C1=N[C@H](C(=O)O)CCC1	MNXR162424
AKRT002114	CC(=O)C(=O)O.N[C@@H](CC=O)C(=O)O>>O=C(O)C1=N[C@H](C(=O)O)C[C@H](O)C1	R10147
AKRT004459	CC(=O)[C@@H](O)[C@H](O)C(=O)COP(=O)(O)O.N[C@@H](CC=O)C(=O)O>>CC(=O)C(O)[C@@H](O)C[C@H](N)C(=O)O	enzymemap_28238
AKRT004460	CC(=O)[C@@H](O)[C@H](O)C(=O)COP(=O)(O)O.N[C@@H](CC=O)C(=O)O>>CC(=O)[C@@H](O)[C@H](O)C[C@H](N)C(=O)O	RXN-10031
AKRT004461	CC(=O)[C@@H](O)[C@H](O)C(=O)COP(=O)(O)O.N[C@@H](CC=O)C(=O)O>>O=CC(=O)COP(=O)(O)O	RXN-10031
AKRT013555	C[C@H](N)C(=O)O.N[C@@H](CC=O)C(=O)O>>NCC[C@H](N)C(=O)O	2.6.1.46-RXN
AKRT017969	NCCCCN.N[C@@H](CC=O)C(=O)O>>NCCCCNCCC(N)C(=O)O	R09079
AKRT017970	NCCCCN.N[C@@H](CC=O)C(=O)O>>NCCCCNCC[C@H](N)C(=O)O	enzymemap_23199
AKRT017971	NCCCCN.N[C@@H](CC=O)C(=O)O>>NCCCNCCC[C@H](N)C(=O)O	RXN-11566
AKRT018185	NCCCN.N[C@@H](CC=O)C(=O)O>>NCCCNCCC(N)C(=O)O	R09080
AKRT018186	NCCCN.N[C@@H](CC=O)C(=O)O>>NCCCNCC[C@H](N)C(=O)O	MNXR172559
AKRT018220	NCCCNCC[C@H](N)C(=O)O>>N[C@@H](CC=O)C(=O)O	enzymemap_23201
AKRT018341	NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CC=O)C(=O)O	R06977
AKRT018346	NCC[C@H](N)C(=O)O>>N[C@@H](CC=O)C(=O)O	enzymemap_42327
AKRT018732	N[C@@H](CC(=O)OP(=O)(O)O)C(=O)O>>N[C@@H](CC=O)C(=O)O	ASPARTATE-SEMIALDEHYDE-DEHYDROGENASE-RXN
AKRT018763	N[C@@H](CC=O)C(=O)O.O=C(CO)COP(=O)(O)O>>NC(CC(O)C(O)C(=O)COP(=O)(O)O)C(=O)O	RXN-13865
AKRT018764	N[C@@H](CC=O)C(=O)O.O=C(CO)COP(=O)(O)O>>N[C@@H](CC(O)C(O)C(=O)COP(=O)(O)O)C(=O)O	R10673
AKRT018765	N[C@@H](CC=O)C(=O)O>>NCC[C@H](N)C(=O)O	R101-RXN
AKRT018766	N[C@@H](CC=O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O	RXN-18427
AKRT018767	N[C@@H](CC=O)C(=O)O>>N[C@@H](CC(=O)OP(=O)(O)O)C(=O)O	enzymemap_16697
AKRT018768	N[C@@H](CC=O)C(=O)O>>N[C@@H](CCO)C(=O)O	HOMOSERDEHYDROG-RXN
AKRT018769	N[C@@H](CC=O)C(=O)O>>N[C@@H](CCS)C(=O)O	RXN-19380
AKRT019353	N[C@@H](CCO)C(=O)O>>N[C@@H](CC=O)C(=O)O	enzymemap_4024