In-Silico Structure database (LMISSD)
| |
LM ID | LMGP07019AG9 |
---|---|
Common Name | PIP[3'](13:0/12:0) |
Systematic Name | 1-tridecanoyl-2-dodecanoyl-sn-glycero-3-phosphoinositol-3-phosphate |
Synonyms | PIP[3'](25:0); PIP(12:0_13:0) |
Exact Mass | |
Formula | C34H66O16P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol monophosphates [GP07] |
Sub Class | Diacylglycerophosphoinositol monophosphates [GP0701] |
PubChem Compound ID (CID) | - |
InChIKey | AVNOCXVVMBBFAL-CQUOEIJJSA-N |
InChI | InChI=1S/C34H66O16P2/c1-3-5-7-9-11-13-15-16-18-20-22-27(35)46-24-26(48-28(36)23- 21-19-17-14-12-10-8-6-4-2)25-47-52(44,45)50-34-31(39)29(37)30(38)33(32(34)40)49- 51(41,42)43/h26,29-34,37-40H,3-25H2,1-2H3,(H,44,45)(H2,41,42,43)/t26-,29?,30?,31 ?,32?,33-,34+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O) COC(CCCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |