3-Aminodihydro-2(3H)-furanone; (S)-form, N-(3R-Hydroxybutanoyl) 

AlkaPlorer ID: AK285009

Synonym: N-(3-Hydroxybutanoyl)homoserine lactone, 3-Hydroxy-C4-HSL, AI-1 

IUPAC Name: 3-hydroxy-N-(2-oxooxolan-3-yl)butanamide

Structure

SMILES: CC(O)CC(O)=NC1CCOC1=O

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InChI: InChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)

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InChIKey: FIXDIFPJOFIIEC-UHFFFAOYSA-N

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Reference

PubChem CID: 130846

CAS: 126049-72-7

COCONUT: CNP0252256.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
Vibrio harveyi Vibrio Vibrionaceae Vibrionales Gammaproteobacteria Pseudomonadota None Bacteria

Properties Information

Molecule Weight: 187.195

TPSA: 79.12

MolLogP: 0.0292999999999998

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT012840 C[C@@H](O)CC(=O)N[C@@H](CCO)C(=O)O>>CC(O)CC(O)=NC1CCOC1=O MNXR132169