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CHEBI:180514 - Omega-(Hypoxanthin-9-yl)-pentoxycarbonyl-leucyl-methionine

ChEBI IDCHEBI:180514
ChEBI NameOmega-(Hypoxanthin-9-yl)-pentoxycarbonyl-leucyl-methionine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32N6O6S
Net Charge0
Average Mass496.590
Monoisotopic Mass496.21040
SMILESCSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCCCCCn1cnc2c(=O)ncnc21)C(=O)O
InChIInChI=1S/C21H32N6O6S/c1-13(2)9-14(18(28)25-15(10-34-3)20(30)31)26-21(32)33-8-6-4-5-7-27-12-24-16-17(27)22-11-23-19(16)29/h11-15H,4-10H2,1-3H3,(H,25,28)(H,26,32)(H,30,31)(H,22,23,29)/t14-,15-/m0/s1
InChIKeySKBHSRFBICJHSL-GJZGRUSLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2259)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Omega-(Hypoxanthin-9-yl)-pentoxycarbonyl-leucyl-methionine (CHEBI:180514) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2R)-2-[[(2S)-4-methyl-2-[5-(6-oxo-1H-purin-9-yl)pentoxycarbonylamino]pentanoyl]amino]-3-methylsulanylpropanoic acid
Manual XrefsDatabases
115764ChemSpider
Registry NumbersSources
CAS:126869-52-1ChemIDplus