In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AU4 |
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Common Name | PIP3[3',4',5'](16:1(7Z)/13:0) |
Systematic Name | 1-(7Z-hexadecenoyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](29:1); PIP3(13:0_16:1) |
Exact Mass | |
Formula | C38H74O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | RPHHXBSGAWARFM-HETCTWGISA-N |
InChI | InChI=1S/C38H74O22P4/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(39)54-28-30(56- 32(40)27-25-23-21-18-14-12-10-8-6-4-2)29-55-64(52,53)60-35-33(41)36(57-61(43,44) 45)38(59-63(49,50)51)37(34(35)42)58-62(46,47)48/h16-17,30,33-38,41-42H,3-15,18-2 9H2,1-2H3,(H,52,53)(H2,43,44,45)(H2,46,47,48)(H2,49,50,51)/b17-16-/t30-,33?,34?, 35-,36+,37?,38?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=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(CCCCC/C=C\CCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |