In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019GQ1 |
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Common Name | CL(1'-[14:1(9Z)/18:0],3'-[18:0/14:0]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-octadecanoyl-sn-glycero-3-phospho],3'-[1- octadecanoyl-2-tetradecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:1); CL(14:0_14:1_18:0_18:0) |
Exact Mass | |
Formula | C73H140O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | BKFYTKIHRLZHTJ-IQQHFVMZSA-N |
InChI | InChI=1S/C73H140O17P2/c1-5-9-13-17-21-25-29-31-33-35-39-42-46-50-54-58-71(76)84- 64-68(89-72(77)59-55-51-47-43-38-28-24-20-16-12-8-4)65-87-91(79,80)85-61-67(74)6 2-86-92(81,82)88-66-69(63-83-70(75)57-53-49-45-41-37-27-23-19-15-11-7-3)90-73(78 )60-56-52-48-44-40-36-34-32-30-26-22-18-14-10-6-2/h19,23,67-69,74H,5-18,20-22,24 -66H2,1-4H3,(H,79,80)(H,81,82)/b23-19-/t67-,68+,69+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@](O)([H]) COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |