In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AVD |
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Common Name | PIP3[3',4',5'](16:1(7Z)/17:1(9Z)) |
Systematic Name | 1-(7Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](33:2); PIP3(16:1_17:1) |
Exact Mass | |
Formula | C42H80O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | YHMJAYLTMMFFKW-ZSYUQVLHSA-N |
InChI | InChI=1S/C42H80O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)60-34(32- 58-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)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/h15,17-18,20,34,37-4 2,45-46H,3-14,16,19,21-33H2,1-2H3,(H,56,57)(H2,47,48,49)(H2,50,51,52)(H2,53,54,5 5)/b17-15-,20-18-/t34-,37?,38?,39-,40+,41?,42?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=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) |