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CHEBI:189038 - S-(9-deoxy-delta9,12-PGD2)-glutathione

ChEBI IDCHEBI:189038
ChEBI NameS-(9-deoxy-delta9,12-PGD2)-glutathione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H47N3O10S
Net Charge0
Average Mass641.784
Monoisotopic Mass641.29822
SMILESCCCCC[C@H](O)C/C=C1/C(=O)CC(SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,13,19,21-23,25,34H,2-3,5-6,8-12,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b7-4-,20-13+/t19-,21-,22+,23-,25?/m0/s1
InChIKeyRPHLHZIDWIFTII-RJQMMLODSA-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)
S-(9-deoxy-delta9,12-PGD2)-glutathione (CHEBI:189038) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(Z)-7-[(1S,2E)-5-[(2R)-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulanyl-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
35032567ChemSpider
HMDB0013058HMDB