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CHEBI:64745 - phytochelatin 3

ChEBI IDCHEBI:64745
ChEBI Namephytochelatin 3
Stars
DefinitionA phytochelatin that is a heptapeptide consisting of 3 units of γ-Glu-Cys, with a glycyl unit at the C-terminus.
Last Modified31 May 2012
SubmitterRebecca Foulger
DownloadsMolfile
FormulaC26H41N7O14S3
Net Charge0
Average Mass771.850
Monoisotopic Mass771.18736
SMILESN[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C26H41N7O14S3/c27-11(24(42)43)1-4-17(34)30-15(9-49)22(40)32-13(26(46)47)3-6-19(36)31-16(10-50)23(41)33-12(25(44)45)2-5-18(35)29-14(8-48)21(39)28-7-20(37)38/h11-16,48-50H,1-10,27H2,(H,28,39)(H,29,35)(H,30,34)(H,31,36)(H,32,40)(H,33,41)(H,37,38)(H,42,43)(H,44,45)(H,46,47)/t11-,12-,13-,14-,15-,16-/m0/s1
InChIKeyPCOMFCPXXQONPD-QNILMXGZSA-N
Roles Classification
Chemical Roles:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
phytochelatin 3 (CHEBI:64745) is a oligopeptide (CHEBI:25676)
phytochelatin 3 (CHEBI:64745) is a phytochelatin (CHEBI:60836)
IUPAC Name 
L-γ-glutamyl-L-cysteinyl-L-γ-glutamyl-L-cysteinyl-L-γ-glutamyl-L-cysteinylglycine
Synonyms  Source
(γ-Glu-Cys)3-GlyChEBI
H-(γ-Glu-Cys)3-Gly-OHChEBI
γGlu-Cys-γGlu-Cys-γGlu-Cys-GlyChEBI
H-γ-L-Glu-L-Cys-γ-L-Glu-L-Cys-γ-L-Glu-L-Cys-Gly-OHChEBI
Registry NumbersSources
Reaxys:4290191Reaxys
Citations