In-Silico Structure database (LMISSD)
| |
LM ID | LMGP10019AA4 |
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Common Name | PA(10:0/18:3(6Z,9Z,12Z)) |
Systematic Name | 1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphate |
Synonyms | PA(28:3); PA(10:0_18:3) |
Exact Mass | |
Formula | C31H55O8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | Diacylglycerophosphates [GP1001] |
PubChem Compound ID (CID) | - |
InChIKey | AQJLZWWVEPHGOO-HAQQYRDFSA-N |
InChI | InChI=1S/C31H55O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(33)39-29(28 -38-40(34,35)36)27-37-30(32)25-23-21-19-10-8-6-4-2/h11-12,14-15,17-18,29H,3-10,1 3,16,19-28H2,1-2H3,(H2,34,35,36)/b12-11-,15-14-,18-17-/t29-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |