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Hydrocinnamoylglycine

AlkaPlorer ID: AK021161

Synonym: None

IUPAC Name: 2-(3-phenylpropanoylamino)acetic acid

Structure

SMILES: O=C(O)CN=C(O)CCC1=CC=CC=C1

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InChI: InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)

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InChIKey: YEIQSAXUPKPPBN-UHFFFAOYSA-N

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Reference

PubChem CID: 152323

CAS: 20989-69-9

SuperNatural Ⅲ: SN0448108

NPASS: NPC325441

COCONUT: CNP0257200

Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 207.229

TPSA？: 69.89

MolLogP？: 1.6603

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus Mus musculus Average latency 96.0 % 10.1021/jm970086f
Mus musculus Mus musculus Average latency 99.0 % 10.1021/jm970086f
Mus musculus Mus musculus Protected/tested 3.0 None 10.1021/jm970086f
Mus musculus Mus musculus Protected/tested 6.0 None 10.1021/jm970086f
Mus musculus Mus musculus Tonic seizures 80.0 % 10.1021/jm970086f
Mus musculus Mus musculus Tonic seizures 100.0 % 10.1021/jm970086f
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Activity 1.8 None 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Kis 0.55 uM 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Km 940000.0 nM 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Ratio 1.1 10'4/M/s 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Vmax(app) 9.9 /s 10.1016/j.bmc.2008.10.013

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017712 NCC(=O)O.O=C([CoA])CCc1ccccc1>>O=C(O)CNC(=O)CCc1ccccc1 RXN-15657
AKRT022843 O=C(O)CNC(=O)CCc1ccccc1>>O=C([CoA])CCc1ccccc1 RXN-15657