In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019BMV |
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Common Name | PIP3[3',4',5'](18:1(7Z)/15:0) |
Systematic Name | 1-(7Z-octadecenoyl)-2-pentadecanoyl-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](33:1); PIP3(15:0_18:1) |
Exact Mass | |
Formula | C42H82O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | CCQWRLMKQNEIKR-SKHRHBOESA-N |
InChI | InChI=1S/C42H82O22P4/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(43)58-32- 34(60-36(44)31-29-27-25-23-20-16-14-12-10-8-6-4-2)33-59-68(56,57)64-39-37(45)40( 61-65(47,48)49)42(63-67(53,54)55)41(38(39)46)62-66(50,51)52/h19,21,34,37-42,45-4 6H,3-18,20,22-33H2,1-2H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,55)/b21-19 -/t34-,37?,38?,39-,40+,41?,42?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCC)=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\CCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |