In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019QHK |
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Common Name | CL(1'-[16:1(9Z)/14:1(9Z)],3'-[16:1(9Z)/16:1(9Z)]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho],3'-[1-2-di- (9Z-hexadecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(62:4); CL(14:1_16:1_16:1_16:1) |
Exact Mass | |
Formula | C71H130O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | LSEZJVPOKPRVBO-LLEVRGKESA-N |
InChI | InChI=1S/C71H130O17P2/c1-5-9-13-17-21-25-29-32-36-39-43-47-51-55-68(73)81-61-66( 87-70(75)57-53-49-45-41-35-28-24-20-16-12-8-4)63-85-89(77,78)83-59-65(72)60-84-9 0(79,80)86-64-67(88-71(76)58-54-50-46-42-38-34-31-27-23-19-15-11-7-3)62-82-69(74 )56-52-48-44-40-37-33-30-26-22-18-14-10-6-2/h20,24-27,29-31,65-67,72H,5-19,21-23 ,28,32-64H2,1-4H3,(H,77,78)(H,79,80)/b24-20-,29-25-,30-26-,31-27-/t65-,66-,67-/m 1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H] )COP(OC[C@]([H])(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |