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LM ID | LMFA03010022 |
Common Name | 13,14-dihydro-15-keto-PGD2 |
Systematic Name | 11,15-dioxo-9S-hydroxy-5Z-prostenoic acid |
Synonyms | 13,14-dihydro-15-keto-Prostaglandin D2; dhk-PGD2 |
Exact Mass | |
Formula | C20H32O5 |
Category | Fatty Acyls [FA] |
Main Class | Eicosanoids [FA03] |
Sub Class | Prostaglandins [FA0301] |
LIPIDBANK ID | XPR1704 |
PubChem CID | 5283036 |
HMDB ID | HMDB0060042 |
CAYMAN ID | 10007208 |
InChIKey | VSRXYLYXIXYEST-KZTWKYQFSA-N
Show lipids differing only in stereochemistry/bond geometry |
InChI | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-2 0(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m1/s1 |
SMILES | [C@H]1(CCC(=O)CCCCC)C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O |
MS Standard | View lipid standard |
Status | Active |
Calculated physicochemical properties (?): |
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| Heavy Atoms | 25 | Rings | 1 | Aromatic Rings | 0 | Rotatable Bonds | 13 |
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| van der Waals Molecular Volume | 375.59 | Topological Polar Surface Area | 91.67 | Hydrogen Bond Donors | 2 | Hydrogen Bond Acceptors | 5 |
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| logP | 3.97 | Molar Refractivity | 96.75 | | | | |
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