In-Silico Structure database (LMISSD)
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LM ID | LMGP10019AD6 |
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Common Name | PA(11:0/22:5(7Z,10Z,13Z,16Z,19Z)) |
Systematic Name | 1-undecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(33:5); PA(11:0_22:5) |
Exact Mass | |
Formula | C36H61O8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | Diacylglycerophosphates [GP1001] |
PubChem Compound ID (CID) | - |
InChIKey | JRRROWIORSKPHA-QSBULVEVSA-N |
InChI | InChI=1S/C36H61O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-36 (38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-12-10-8-6-4-2/h5,7,11,13,15- 16,18-19,21-22,34H,3-4,6,8-10,12,14,17,20,23-33H2,1-2H3,(H2,39,40,41)/b7-5-,13-1 1-,16-15-,19-18-,22-21-/t34-/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCC )=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |