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CHEBI:189009 - 5-S-glutathionyl-L-DOPA

ChEBI IDCHEBI:189009
ChEBI Name5-S-glutathionyl-L-DOPA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N4O10S
Net Charge0
Average Mass502.502
Monoisotopic Mass502.13696
SMILESN[C@@H](CCC(=O)N[C@@H](CSc1cc(C[C@H](N)C(=O)O)cc(O)c1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/t9-,10-,11-/m0/s1
InChIKeyQPUCCRKMCAEIND-DCAQKATOSA-N
Species of MetaboliteComponentSourceComments
Anopheles sinensis (ncbitaxon:74873) Whole Organism (NCIT:C13413) Article
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-S-glutathionyl-L-DOPA (CHEBI:189009) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-amino-5-[[(2R)-3-[5-[(2S)-2-amino-2-carboxyethyl]-2,3-dihydroxyphenyl]sulanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0062425HMDB
8966885ChemSpider