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CHEBI:197234 - Hydroxymelphalan

ChEBI IDCHEBI:197234
ChEBI NameHydroxymelphalan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19ClN2O3
Net Charge0
Average Mass286.759
Monoisotopic Mass286.10842
SMILESN[C@@H](Cc1ccc(N(CCO)CCCl)cc1)C(=O)O
InChIInChI=1S/C13H19ClN2O3/c14-5-6-16(7-8-17)11-3-1-10(2-4-11)9-12(15)13(18)19/h1-4,12,17H,5-9,15H2,(H,18,19)/t12-/m0/s1
InChIKeyCPWJECQKVRUIOI-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Hydroxymelphalan (CHEBI:197234) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2S)-2-amino-3-[4-[2-chloroethyl(2-hydroxyethyl)amino]phenyl]propanoic acid
Manual XrefsDatabases
9394962ChemSpider