In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AAH |
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Common Name | PIP3[3',4',5'](10:0/15:1(9Z)) |
Systematic Name | 1-decanoyl-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](25:1); PIP3(10:0_15:1) |
Exact Mass | |
Formula | C34H66O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | ICFSZTMQUNKEMH-UEWUOBFBSA-N |
InChI | InChI=1S/C34H66O22P4/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(36)52-26(24-50-27( 35)22-20-18-16-10-8-6-4-2)25-51-60(48,49)56-31-29(37)32(53-57(39,40)41)34(55-59( 45,46)47)33(30(31)38)54-58(42,43)44/h11-12,26,29-34,37-38H,3-10,13-25H2,1-2H3,(H ,48,49)(H2,39,40,41)(H2,42,43,44)(H2,45,46,47)/b12-11-/t26-,29?,30?,31-,32+,33?, 34?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCC)=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(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |