In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019QGF |
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Common Name | CL(1'-[16:1(9Z)/14:1(9Z)],3'-[14:1(9Z)/14:0]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z- tetradecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(58:3); CL(14:0_14:1_14:1_16:1) |
Exact Mass | |
Formula | C67H124O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | POVGLDPXMGJNRE-PPIVQEPMSA-N |
InChI | InChI=1S/C67H124O17P2/c1-5-9-13-17-21-25-29-30-34-36-40-44-48-52-65(70)78-58-63( 84-67(72)54-50-46-42-38-33-28-24-20-16-12-8-4)60-82-86(75,76)80-56-61(68)55-79-8 5(73,74)81-59-62(83-66(71)53-49-45-41-37-32-27-23-19-15-11-7-3)57-77-64(69)51-47 -43-39-35-31-26-22-18-14-10-6-2/h18,20,22,24-25,29,61-63,68H,5-17,19,21,23,26-28 ,30-60H2,1-4H3,(H,73,74)(H,75,76)/b22-18-,24-20-,29-25-/t61-,62+,63+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H] )COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |