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CHEBI:193441 - Dihydroxymelphalan

ChEBI IDCHEBI:193441
ChEBI NameDihydroxymelphalan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N2O4
Net Charge0
Average Mass268.313
Monoisotopic Mass268.14231
SMILESN[C@@H](Cc1ccc(N(CCO)CCO)cc1)C(=O)O
InChIInChI=1S/C13H20N2O4/c14-12(13(18)19)9-10-1-3-11(4-2-10)15(5-7-16)6-8-17/h1-4,12,16-17H,5-9,14H2,(H,18,19)/t12-/m0/s1
InChIKeyWHGUXSYETMNGJA-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Dihydroxymelphalan (CHEBI:193441) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-amino-3-[4-[bis(2-hydroxyethyl)amino]phenyl]propanoic acid
Manual XrefsDatabases
137156ChemSpider
Registry NumbersSources
CAS:72143-20-5ChemIDplus