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J-GLOBAL ID：200907056495127872   Nikkaji number：J2.773.678E

S-(PGA1)-glutathione

S-(PGA1)-グルタチオン
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Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C30H49N3O10S
Molecular formula furigana： C30-H49-N3-O10-S
Molecular weight： 643.790
InChI： InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/t19-,20?,21+,22-,23-,25?/m0/s1
InChI key： HXBAELAEMDXAJM-KQXHGHLXSA-N
SMILES： CCCCC[C@H](O)C=C[C@H]1C(CC(=O)C1CCCCCCC(=O)O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
Systematic name  (3)：
  • 7-[(2R)-2-[(3S)-3-ヒドロキシ-1-オクテニル]-3-[[(2R)-2-(L-γ-グルタミルアミノ)-3-(カルボキシメチルアミノ)-3-オキソプロピル]チオ]-5-オキソシクロペンチル]ヘプタン酸
  • 7-[(2R)-3-{[(2R)-2-[(4S)-4-アミノ-4-カルボキシブタンアミド]-2-[(カルボキシメチル)カルバモイル]エチル]スルファニル}-2-[(3S)-3-ヒドロキシオクタ-1-エン-1-イル]-5-オキソシクロペンチル]ヘプタン酸
  • 7-[(2R)-3-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-2-[(3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
Other name (3)：
  • 7-[(2R)-2-[(3S)-3-Hydroxy-1-octenyl]-3-[[(2R)-2-(L-γ-glutamylamino)-3-(carboxymethylamino)-3-oxopropyl]thio]-5-oxocyclopentyl]heptanoic acid
  • S-(PGA1)-glutathione
  • S-(PGA1)-グルタチオン
KEGG COMPOUND： C11304
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