In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019Q0J |
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Common Name | CL(1'-[16:1(9Z)/16:1(9Z)],3'-[14:1(9Z)/16:0]) |
Systematic Name | 1'-[1-2-di-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2- hexadecanoyl-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:3); CL(14:1_16:0_16:1_16:1) |
Exact Mass | |
Formula | C71H132O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | DAEPVHKAIBFPPB-MXYWXPKKSA-N |
InChI | InChI=1S/C71H132O17P2/c1-5-9-13-17-21-25-29-32-36-40-44-48-52-56-69(74)82-62-67( 88-71(76)58-54-50-46-42-38-34-31-27-23-19-15-11-7-3)64-86-90(79,80)84-60-65(72)5 9-83-89(77,78)85-63-66(61-81-68(73)55-51-47-43-39-35-28-24-20-16-12-8-4)87-70(75 )57-53-49-45-41-37-33-30-26-22-18-14-10-6-2/h20,24-25,27,29,31,65-67,72H,5-19,21 -23,26,28,30,32-64H2,1-4H3,(H,77,78)(H,79,80)/b24-20-,29-25-,31-27-/t65-,66+,67+ /m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([ H])COP(OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |