In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AQR |
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Common Name | PI(O-18:1(9Z)/17:1(9Z)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-35:2); PI(O-18:1/17:1) |
Exact Mass | |
Formula | C44H83O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | REGAPNVXTYLURP-JJAYWWBXSA-N |
InChI | InChI=1S/C44H83O12P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-53-35-37(3 6-54-57(51,52)56-44-42(49)40(47)39(46)41(48)43(44)50)55-38(45)33-31-29-27-25-23- 21-18-16-14-12-10-8-6-4-2/h16-19,37,39-44,46-50H,3-15,20-36H2,1-2H3,(H,51,52)/b1 8-16-,19-17-/t37-,39?,40-,41?,42?,43?,44-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)C OCCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |