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CHEBI:204843 - 3-(L-alanyl-L-homoserinyl-L-aspartyl-betacarboxy)-4-hydroxy-5-oxopyrazole

ChEBI IDCHEBI:204843
ChEBI Name3-(L-alanyl-L-homoserinyl-L-aspartyl-betacarboxy)-4-hydroxy-5-oxopyrazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21N5O9
Net Charge0
Average Mass403.348
Monoisotopic Mass403.13393
SMILESC[C@H](N)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CC(=O)Oc1nnc(=O)c1O)C(=O)O
InChIInChI=1S/C14H21N5O9/c1-5(15)10(23)16-6(2-3-20)11(24)17-7(14(26)27)4-8(21)28-13-9(22)12(25)18-19-13/h5-7,20,22H,2-4,15H2,1H3,(H,16,23)(H,17,24)(H,26,27)(H2,18,19,25)/t5-,6-,7-/m0/s1
InChIKeyOSMOXHWFOQKIKE-ACZMJKKPSA-N
Species of MetaboliteComponentSourceComments
Burkholderia glumae (ncbitaxon:337) - PubMed (18834606)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-(L-alanyl-L-homoserinyl-L-aspartyl-betacarboxy)-4-hydroxy-5-oxopyrazole (CHEBI:204843) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-hydroxybutanoyl]amino]-4-[(4-hydroxy-5-oxo-1,2-dihydropyrazol-3-yl)oxy]-4-oxobutanoic acid
Manual XrefsDatabases
78437203ChemSpider