In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029ARS |
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Common Name | PI(O-18:1(9Z)/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(O-38:5); PI(O-18:1/20:4) |
Exact Mass | |
Formula | C47H83O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | DMKFYDXHLJAFIN-KEKLTAACSA-N |
InChI | InChI=1S/C47H83O12P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-41(48)5 8-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)38-56-37-35-33-31-29- 27-25-23-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,18-21,24,26,40,42-47,49-53H,3-6,8, 10-12,14,16-17,22-23,25,27-39H2,1-2H3,(H,54,55)/b9-7+,15-13+,20-18-,21-19+,26-24 +/t40-,42?,43-,44?,45?,46?,47-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C (O)C(O)C1O)COCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |