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

ChEBI IDCHEBI:168700
ChEBI NameBis-gamma-glutamylcysteinylbis-beta-alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36N6O12S2
Net Charge0
Average Mass640.694
Monoisotopic Mass640.18326
SMILESNC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCCC(=O)O)C(=O)NCCC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyNHIHYSIMMYLVDO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0029413HMDB
35032866ChemSpider