In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AB2 |
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Common Name | PG(10:0/8:1(6E)(5OH,8OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(18:1(OH2,Ke)); PG(10:0/8:1(OH2,Ke)) |
Exact Mass | |
Formula | C24H43O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | BYWAYCBNLMKBCN-SOIHWOGSSA-N |
InChI | InChI=1S/C24H43O13P/c1-2-3-4-5-6-7-8-11-23(30)34-17-21(18-36-38(32,33)35-16-20(2 7)15-25)37-24(31)12-9-10-19(26)13-14-22(28)29/h13-14,19-21,25-27H,2-12,15-18H2,1 H3,(H,28,29)(H,32,33)/b14-13+/t19?,20-,21+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |