CHEBI:28389 - [3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine

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ChEBI Name [3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine
ChEBI ID CHEBI:28389
Definition A dipeptide consisting of a modified L-proline residue attached to glycine via a peptide linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:434, CHEBI:18766
Supplier Information
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Formula C15H18N2O6S
Net Charge 0
Average Mass 354.37800
Monoisotopic Mass 354.08856
InChI InChI=1S/C15H18N2O6S/c18-14(19)5-16-15(20)10-4-9(11(6-24)17(10)21)8-1-2-12-13(3-8)23-7-22-12/h1-3,9-11,21,24H,4-7H2,(H,16,20)(H,18,19)/t9?,10-,11?/m0/s1
InChIKey IFPDMYFQTNXKKD-YVNMAJEFSA-N
SMILES ON1C(CS)C(C[C@H]1C(=O)NCC(O)=O)c1ccc2OCOc2c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing [3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (CHEBI:28389) has part glycino group (CHEBI:46738)
[3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (CHEBI:28389) is a N-acylglycine (CHEBI:16180)
[3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (CHEBI:28389) is a benzodioxoles (CHEBI:38298)
[3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (CHEBI:28389) is a dipeptide (CHEBI:46761)
IUPAC Name
4-(1,3-benzodioxol-5-yl)-1-hydroxy-5-(sulfanylmethyl)-L-prolylglycine
Synonym Source
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine KEGG COMPOUND
Manual Xref Database
C01313 KEGG COMPOUND
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Last Modified
28 November 2014