In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AAF |
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Common Name | PG(10:0/12:1(10E)(9OH,12OH,12Ke)) |
Systematic Name | 1-decanoyl-2-(9-hydroxy-11-carboxy-10E-undecenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(22:1(OH2,Ke)); PG(10:0/12:1(OH2,Ke)) |
Exact Mass | |
Formula | C28H51O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | WYVMLEIAXWFKIM-JQYWBTDVSA-N |
InChI | InChI=1S/C28H51O13P/c1-2-3-4-5-6-9-12-15-27(34)38-21-25(22-40-42(36,37)39-20-24( 31)19-29)41-28(35)16-13-10-7-8-11-14-23(30)17-18-26(32)33/h17-18,23-25,29-31H,2- 16,19-22H2,1H3,(H,32,33)(H,36,37)/b18-17+/t23?,24-,25+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)(=O) O |
MS Spectra | - |
Status | Active (generated by computational methods) |