CHEBI:168700 - Bis-gamma-glutamylcysteinylbis-beta-alanine

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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 Bis-gamma-glutamylcysteinylbis-beta-alanine
ChEBI ID CHEBI:168700
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36N6O12S2
Net Charge 0
Average Mass 640.680
Monoisotopic Mass 640.18326
InChI InChI=1S/C22H36N6O12S2/c23-11(21(37)38)1-3-15(29)27-13(19(35)25-7-5-17(31)32)9-41-42-10-14(20(36)26-8-6-18(33)34)28-16(30)4-2-12(24)22(39)40/h11-14H,1-10,23-24H2,(H,25,35)(H,26,36)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,37,38)(H,39,40)
InChIKey NHIHYSIMMYLVDO-UHFFFAOYSA-N
SMILES S(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 Bis-gamma-glutamylcysteinylbis-beta-alanine (CHEBI:168700) is a peptide (CHEBI:16670)
IUPAC Name
2-amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(2-carboxyethylamino)-3-oxopropyl]disulanyl]-1-(2-carboxyethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual Xrefs Databases
35032866 ChemSpider
HMDB0029413 HMDB
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