Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:06:19 UTC
Update Date2022-08-31 06:21:28 UTC
Metabolite IDMMDBc0003821
Metabolite Identification
Common NameCadystin A
Descriptionphytochelatin 3, also known as (g-glu-cys)3-gly, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review a significant number of articles have been published on phytochelatin 3.
Structure
Synonyms
ValueSource
(gamma-Glu-cys)3-glyChEBI
GammaGlu-cys-gammaglu-cys-gammaglu-cys-glyChEBI
H-(gamma-Glu-cys)3-gly-OHChEBI
H-gamma-L-Glu-L-cys-gamma-L-glu-L-cys-gamma-L-glu-L-cys-gly-OHChEBI
(g-Glu-cys)3-glyGenerator
(Γ-glu-cys)3-glyGenerator
H-(g-Glu-cys)3-gly-OHGenerator
H-(Γ-glu-cys)3-gly-OHGenerator
H-g-L-Glu-L-cys-g-L-glu-L-cys-g-L-glu-L-cys-gly-OHGenerator
H-Γ-L-glu-L-cys-γ-L-glu-L-cys-γ-L-glu-L-cys-gly-OHGenerator
Cadystin protein, S pombeMeSH
Cadmium-gamma-glutamyl peptide complex, S pombeMeSH
Molecular FormulaC26H41N7O14S3
Average Mass771.83
Monoisotopic Mass771.18736255
IUPAC Name(2S)-2-{[(2R)-2-{[(4S)-4-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoic acid
Traditional Name(2S)-2-{[(2R)-2-{[(4S)-4-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-4-{[(1R)-1-(carboxymethyl-C-hydroxycarbonimidoyl)-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](N)(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
InChI Identifier
InChI=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
InChI KeyPCOMFCPXXQONPD-QNILMXGZSA-N