CHEBI:183945 - [(3R)-3-aMino-4-[(3-hexylphenyl)aMino]-4-oxobutyl]-phosphonic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [(3R)-3-aMino-4-[(3-hexylphenyl)aMino]-4-oxobutyl]-phosphonic acid
ChEBI ID CHEBI:183945
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H27N2O4P
Net Charge 0
Average Mass 342.376
Monoisotopic Mass 342.17084
InChI InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1
InChIKey FWJRVGZWNDOOFH-OAHLLOKOSA-N
SMILES P(O)(O)(=O)CC[C@@H](N)C(=O)NC=1C=C(CCCCCC)C=CC1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing [(3R)-3-aMino-4-[(3-hexylphenyl)aMino]-4-oxobutyl]-phosphonic acid (CHEBI:183945) is a amino acid amide (CHEBI:22475)
IUPAC Name
[(3R)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid
Manual Xrefs Databases
5257126 ChemSpider
ML5 PDBeChem
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