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2-Amino-1,3-propanediol

AlkaPlorer ID: AK287301

Synonym: Serinol

IUPAC Name: 2-aminopropane-1,3-diol

Structure

SMILES: NC(CO)CO

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InChI: InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2

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InChIKey: KJJPLEZQSCZCKE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 91.11

TPSA？: 66.48

MolLogP？: -1.7017

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Glutaminyl-peptide cyclotransferase IC50 nan None 10.1021/acsmedchemlett.2c00256
Plasmodium falciparum Plasmodium falciparum IC50 50000.0 nM 10.1021/jm9701886

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004165 CC(=O)OCC[C@H](N)C(=O)O.NC(CO)CO>>N[C@@H](CCOC[C@H](N)CO)C(=O)O RXN-18801
AKRT008265 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.NC(CO)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(N)CO)OC(=O)CCCCCCC/C=C\CCCCCCCC enzymemap_57588
AKRT008443 CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.NC(CO)CO>>CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(N)CO)OC(=O)CCCCCCCC=CCCCCCCCC enzymemap_57580
AKRT017401 NC(CO)COP(=O)(O)O>>NC(CO)CO RXN-11306