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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Omega-(Hypoxanthin-9-yl)-pentoxycarbonyl-leucyl-methionine
ChEBI ID CHEBI:180514
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32N6O6S
Net Charge 0
Average Mass 496.580
Monoisotopic Mass 496.21040
InChI InChI=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
InChIKey SKBHSRFBICJHSL-GJZGRUSLSA-N
SMILES S(C[C@H](NC(=O)[C@@H](NC(OCCCCCN1C=2N=CNC(=O)C2N=C1)=O)CC(C)C)C(O)=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
115764 ChemSpider
View more database links
Registry Number Type Source
126869-52-1 CAS Registry Number ChemIDplus