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CHEBI:168830 - (S)-Argpyrimidine

ChEBI IDCHEBI:168830
ChEBI Name(S)-Argpyrimidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N4O3
Net Charge0
Average Mass254.290
Monoisotopic Mass254.13789
SMILESCc1nc(NCCCC(N)C(=O)O)nc(C)c1O
InChIInChI=1S/C11H18N4O3/c1-6-9(16)7(2)15-11(14-6)13-5-3-4-8(12)10(17)18/h8,16H,3-5,12H2,1-2H3,(H,17,18)(H,13,14,15)
InChIKeyDCPBQSFZQHFSMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-Argpyrimidine (CHEBI:168830) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-amino-5-[(5-hydroxy-4,6-dimethylpyrimidin-2-yl)amino]pentanoic acid
Manual XrefsDatabases
28571865ChemSpider
HMDB0037180HMDB