In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019QQH |
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Common Name | CL(1'-[16:1(9Z)/16:0],3'-[14:1(9Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho],3'-[1-2-di-(9Z- tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(60:3); CL(14:1_14:1_16:0_16:1) |
Exact Mass | |
Formula | C69H128O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | AHWONAFEIWRENI-GBDVSOKMSA-N |
InChI | InChI=1S/C69H128O17P2/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/h19-20,23-25,29,63-65,70H,5-18,21-22,26-28 ,30-62H2,1-4H3,(H,75,76)(H,77,78)/b23-19-,24-20-,29-25-/t63-,64+,65+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H]) COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |