In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AAK |
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Common Name | PIP3[3',4',5'](10:0/16:1(9Z)) |
Systematic Name | 1-decanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate |
Synonyms | PIP3[3',4',5'](26:1); PIP3(10:0_16:1) |
Exact Mass | |
Formula | C35H68O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | RIUGSVDMMCNAHG-VXIKZXSASA-N |
InChI | InChI=1S/C35H68O22P4/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(37)53-27(25-51- 28(36)23-21-19-17-10-8-6-4-2)26-52-61(49,50)57-32-30(38)33(54-58(40,41)42)35(56- 60(46,47)48)34(31(32)39)55-59(43,44)45/h12-13,27,30-35,38-39H,3-11,14-26H2,1-2H3 ,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/b13-12-/t27-,30?,31?,32-,33+,3 4?,35?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP( =O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |