Chem
J-GLOBAL ID：200907012910300537   Nikkaji number：J591.183D

[5,6,8,9,12,14,15-3H]PGD2

(5Z,13E,15S)-9α,15-ジヒドロキシ-11-オキソ(5,6,8,9,12,14,15-3H7)プロスタ-5,13-ジエン-1-酸
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： C20H25[3H]7O5
Molecular formula furigana： C20-H32-O5
Molecular weight： 366.527
InChI： InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1/i4T,7T,12T,15T,16T,17T,18T
InChI key： BHMBVRSPMRCCGG-SGAGFVAOSA-N
SMILES： C(=C(\[3H])/C[C@@]1([3H])[C@@]([3H])(O)CC(=O)[C@]1([3H])/C=C(\[3H])/[C@@]([3H])(O)CCCCC)(\[3H])/CCCC(=O)O
Systematic name  (3)：
  • (5Z,13E,15S)-9α,15-ジヒドロキシ-11-オキソ(5,6,8,9,12,14,15-3H7)プロスタ-5,13-ジエン-1-酸
  • (5Z)-7-[(1R,2R,5S)-5-ヒドロキシ-2-[(3S)-3-ヒドロキシ(2,3-3H2)オクタ-1-エン-1-イル]-3-オキソ(1,2,5-3H3)シクロペンチル](5,6-3H2)ヘプタ-5-エン酸
  • (5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxy(2,3-3H2)oct-1-en-1-yl]-3-oxo(1,2,5-3H3)cyclopentyl](5,6-3H2)hept-5-enoic acid
Other name (3)：
  • [5,6,8,9,12,14,15-3H]PGD2
  • (5Z,13E,15S)-9α,15-Dihydroxy-11-oxo(5,6,8,9,12,14,15-3H7)prosta-5,13-dien-1-oic acid
  • (5Z,13E,15S)-9α,15-Dihydroxy-11-oxo(5,6,8,9,12,14,15-3H7)prosta-5,13-diene-1-oic acid
Thsaurus map：
Thesaurus Map

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