CHEBI:161017 - Met-Pro-Glu

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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 Met-Pro-Glu
ChEBI ID CHEBI:161017
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H25N3O6S
Net Charge 0
Average Mass 375.440
Monoisotopic Mass 375.14641
InChI InChI=1S/C15H25N3O6S/c1-25-8-6-9(16)14(22)18-7-2-3-11(18)13(21)17-10(15(23)24)4-5-12(19)20/h9-11H,2-8,16H2,1H3,(H,17,21)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1
InChIKey BQHLZUMZOXUWNU-DCAQKATOSA-N
SMILES S(CC[C@H](N)C(=O)N1[C@@H](CCC1)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Met-Pro-Glu (CHEBI:161017) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulanylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid