In-Silico Structure database (LMISSD)
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LM ID | LMGP10019ABN |
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Common Name | PA(10:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-decanoyl-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphate |
Synonyms | PA(30:4); PA(10:0_20:4) |
Exact Mass | |
Formula | C33H57O8P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphates [GP10] |
Sub Class | Diacylglycerophosphates [GP1001] |
PubChem Compound ID (CID) | - |
InChIKey | XODKOIRJVMIJMI-CXFVCAFVSA-N |
InChI | InChI=1S/C33H57O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(35)41 -31(30-40-42(36,37)38)29-39-32(34)27-25-23-21-10-8-6-4-2/h7,9,12-13,15-16,18-19, 31H,3-6,8,10-11,14,17,20-30H2,1-2H3,(H2,36,37,38)/b9-7+,13-12+,16-15+,19-18+/t31 -/m1/s1 |
SMILES | [C@](COP(=O)(O)O)([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |