In-Silico Structure database (LMISSD)
| |
LM ID | LMGP05019AHS |
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Common Name | PGP(13:0/18:1(7Z)) |
Systematic Name | 1-tridecanoyl-2-(7Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'- phosphate) |
Synonyms | PGP(31:1); PGP(13:0_18:1) |
Exact Mass | |
Formula | C37H72O13P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphates [GP05] |
Sub Class | Diacylglycerophosphoglycerophosphates [GP0501] |
PubChem Compound ID (CID) | - |
InChIKey | STMSOQJABUHICC-DMUILQKGSA-N |
InChI | InChI=1S/C37H72O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-37(40)50-35( 33-49-52(44,45)48-31-34(38)30-47-51(41,42)43)32-46-36(39)28-26-24-22-20-14-12-10 -8-6-4-2/h18-19,34-35,38H,3-17,20-33H2,1-2H3,(H,44,45)(H2,41,42,43)/b19-18-/t34- ,35+/m0/s1 |
SMILES | [H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCC/C=C\CCCCCCCCCC)=O)COC(CCCCCCCCCC CC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |