In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019HJO |
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Common Name | CL(1'-[14:1(9Z)/18:3(6Z,9Z,12Z)],3'-[14:1(9Z)/18:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-tetradecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho], 3'-[1-(9Z-tetradecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(64:6); CL(14:1_14:1_18:1_18:3) |
Exact Mass | |
Formula | C73H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | SUXBBUDRBGKOTE-AHGJYYFRSA-N |
InChI | InChI=1S/C73H130O17P2/c1-5-9-13-17-21-25-29-31-33-35-39-43-47-51-55-59-72(77)89- 68(63-83-70(75)57-53-49-45-41-37-27-23-19-15-11-7-3)65-87-91(79,80)85-61-67(74)6 2-86-92(81,82)88-66-69(64-84-71(76)58-54-50-46-42-38-28-24-20-16-12-8-4)90-73(78 )60-56-52-48-44-40-36-34-32-30-26-22-18-14-10-6-2/h19-21,23-25,31-34,39,43,67-69 ,74H,5-18,22,26-30,35-38,40-42,44-66H2,1-4H3,(H,79,80)(H,81,82)/b23-19-,24-20-,2 5-21-,33-31-,34-32-,43-39-/t67-,68-,69-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OC[C@ ](O)([H])COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)= O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |