In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20079AAD |
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Common Name | PA(10:0/12:1(10E)(9Ke,12OH,12Ke)) |
Systematic Name | 1-decanoyl-2-(9-oxo-11-carboxy-10E-undecenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(22:1(OH,Ke2)); PA(10:0/12:1(OH,Ke2)) |
Exact Mass | |
Formula | C25H43O11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphates [GP2007] |
PubChem Compound ID (CID) | - |
InChIKey | QDIAGLMBEUAFDC-CRGRJFMMSA-N |
InChI | InChI=1S/C25H43O11P/c1-2-3-4-5-6-9-12-15-24(29)34-19-22(20-35-37(31,32)33)36-25( 30)16-13-10-7-8-11-14-21(26)17-18-23(27)28/h17-18,22H,2-16,19-20H2,1H3,(H,27,28) (H2,31,32,33)/b18-17+/t22-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCCCCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |