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2-acetamido-5-oxopentanoate

AlkaPlorer ID: AK019481

Synonym: '2-Acetamido-5-oxopentanoate', 'N-acetyl-L-glutamate 5-semialdehyde', '2-acetamido-5-oxovalerate', 'N-Acetyl-L-glutamate 5-semialdehyde'

IUPAC Name: (2S)-2-acetamido-5-oxopentanoic acid

Structure

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

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InChI: InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/t6-/m0/s1

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InChIKey: BCPSFKBPHHBDAI-LURJTMIESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ailuropoda melanoleuca Ailuropoda Ursidae Carnivora Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 173.16799999999998

TPSA？: 86.96000000000001

MolLogP？: 0.3950999999999999

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002613 CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O>>CC(=O)N[C@@H](CCC=O)C(=O)O N-ACETYLGLUTPREDUCT-RXN
AKRT002618 CC(=O)N[C@@H](CCC=O)C(=O)O>>CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O enzymemap_17521
AKRT002619 CC(=O)N[C@@H](CCC=O)C(=O)O>>CC(=O)N[C@@H](CCCN)C(=O)O ACETYLORNTRANSAM-RXN
AKRT002620 CC(=O)N[C@@H](CCC=O)C(=O)O>>CC(=O)O 30503
AKRT002621 CC(=O)N[C@@H](CCC=O)C(=O)O>>N[C@@H](CCC=O)C(=O)O 30503
AKRT002644 CC(=O)N[C@@H](CCCN)C(=O)O>>CC(=O)N[C@@H](CCC=O)C(=O)O enzymemap_41482
AKRT004434 CC(=O)[32S].N[C@@H](CCC=O)C(=O)O>>CC(=O)N[C@@H](CCC=O)C(=O)O None
AKRT004691 CC(=O)[CoA].N[C@@H](CCC=O)C(=O)O>>CC(=O)N[C@@H](CCC=O)C(=O)O R12085