In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019ABF |
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Common Name | CL(1'-[14:0/14:0],3'-[16:0/16:1(9Z)]) |
Systematic Name | 1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-hexadecanoyl-2-(9Z- hexadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(60:1); CL(14:0_14:0_16:0_16:1) |
Exact Mass | |
Formula | C69H132O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | RPQWZUFSQRGLAQ-USUFMNQZSA-N |
InChI | InChI=1S/C69H132O17P2/c1-5-9-13-17-21-25-29-31-35-38-42-46-50-54-67(72)80-60-65( 86-69(74)56-52-48-44-40-36-32-30-26-22-18-14-10-6-2)62-84-88(77,78)82-58-63(70)5 7-81-87(75,76)83-61-64(85-68(73)55-51-47-43-39-34-28-24-20-16-12-8-4)59-79-66(71 )53-49-45-41-37-33-27-23-19-15-11-7-3/h26,30,63-65,70H,5-25,27-29,31-62H2,1-4H3, (H,75,76)(H,77,78)/b30-26-/t63-,64-,65-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[ C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |