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CHEBI:217216 - Elastatinal

ChEBI IDCHEBI:217216
ChEBI NameElastatinal
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36N8O7
Net Charge0
Average Mass512.568
Monoisotopic Mass512.27070
SMILESCC(C)CC(NC(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(C)C=O)C1CCN=C(N)N1)C(=O)O
InChIInChI=1S/C21H36N8O7/c1-10(2)8-14(19(34)35)28-21(36)29-16(12-6-7-24-20(23)27-12)18(33)26-13(4-5-15(22)31)17(32)25-11(3)9-30/h9-14,16H,4-8H2,1-3H3,(H2,22,31)(H,25,32)(H,26,33)(H,34,35)(H3,23,24,27)(H2,28,29,36)
InChIKeyIJWCGVPEDDQUDE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (4792394)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Elastatinal (CHEBI:217216) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[2-[[5-amino-1,5-dioxo-1-(1-oxopropan-2-ylamino)pentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
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3099ChemSpider