In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019ACL |
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Common Name | PIP3[3',4',5'](11:0/10:0) |
Systematic Name | 1-undecanoyl-2-decanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate |
Synonyms | PIP3[3',4',5'](21:0); PIP3(10:0_11:0) |
Exact Mass | |
Formula | C30H60O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | VPHKVWNFPUDFTC-RNSDCDPVSA-N |
InChI | InChI=1S/C30H60O22P4/c1-3-5-7-9-11-13-14-16-18-23(31)46-20-22(48-24(32)19-17-15- 12-10-8-6-4-2)21-47-56(44,45)52-27-25(33)28(49-53(35,36)37)30(51-55(41,42)43)29( 26(27)34)50-54(38,39)40/h22,25-30,33-34H,3-21H2,1-2H3,(H,44,45)(H2,35,36,37)(H2, 38,39,40)(H2,41,42,43)/t22-,25?,26?,27-,28+,29?,30?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=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(CCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |