In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039BYB |
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Common Name | PIP2[4',5'](P-16:1(9Z)/13:0) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol-4,5- bisphosphate |
Synonyms | PIP2[4',5'](P-29:1); PIP2(P-16:1_13:0) |
Exact Mass | |
Formula | C38H73O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | YWJQHZIJUKNTBR-NRHVAZCESA-N |
InChI | InChI=1S/C38H73O18P3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-51-29-31(53-32( 39)27-25-23-21-19-14-12-10-8-6-4-2)30-52-59(49,50)56-36-33(40)34(41)37(54-57(43, 44)45)38(35(36)42)55-58(46,47)48/h13,15,26,28,31,33-38,40-42H,3-12,14,16-25,27,2 9-30H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b15-13-,28-26-/t31-,33?,34+,35? ,36-,37?,38?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O )(O)O)C1O)CO/C=C\CCCCCC/C=C\CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |