In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AAO |
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Common Name | PA(10:0/18:2(9Z,11E)(13OH[R])) |
Systematic Name | 1-decanoyl-2-(13R-HODE)-sn-glycero-3-phosphate |
Synonyms | PA(28:2(OH)); PA(10:0/18:2(OH)) |
Exact Mass | |
Formula | C31H57O9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | LKGPXDYLYGGWMD-RDJXUCAQSA-N |
InChI | InChI=1S/C31H57O9P/c1-3-5-7-8-12-16-20-24-30(33)38-26-29(27-39-41(35,36)37)40-31 (34)25-21-17-14-11-9-10-13-15-19-23-28(32)22-18-6-4-2/h13,15,19,23,28-29,32H,3-1 2,14,16-18,20-22,24-27H2,1-2H3,(H2,35,36,37)/b15-13-,23-19+/t28-,29-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C=C\[C@H](O)CCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |