In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019K6G |
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Common Name | CL(1'-[16:0/14:1(9Z)],3'-[16:0/14:1(9Z)]) |
Systematic Name | 1',3'-bis-[1-hexadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn- glycerol |
Synonyms | CL(60:2); CL(14:1_14:1_16:0_16:0) |
Exact Mass | |
Formula | C69H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | LEIXTWVILVOWGQ-MFDAZMGSSA-N |
InChI | InChI=1S/C69H130O17P2/c1-5-9-13-17-21-25-29-31-35-37-41-45-49-53-66(71)79-59-64( 85-68(73)55-51-47-43-39-33-27-23-19-15-11-7-3)61-83-87(75,76)81-57-63(70)58-82-8 8(77,78)84-62-65(86-69(74)56-52-48-44-40-34-28-24-20-16-12-8-4)60-80-67(72)54-50 -46-42-38-36-32-30-26-22-18-14-10-6-2/h19-20,23-24,63-65,70H,5-18,21-22,25-62H2, 1-4H3,(H,75,76)(H,77,78)/b23-19-,24-20-/t64-,65-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])CO P(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |