In-Silico Structure database (LMISSD)
| |
LM ID | LMGP12019P6X |
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Common Name | CL(1'-[16:1(9Z)/14:0],3'-[16:0/14:0]) |
Systematic Name | 1'-[1-(9Z-hexadecenoyl)-2-tetradecanoyl-sn-glycero-3-phospho],3'-[1- hexadecanoyl-2-tetradecanoyl-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 | AHXRFIVQCPNSKT-LTLUGHIJSA-N |
InChI | InChI=1S/C69H132O17P2/c1-5-9-13-17-21-25-29-31-35-37-41-45-49-53-66(71)79-59-64( 85-68(73)55-51-47-43-39-33-27-23-19-15-11-7-3)61-83-87(75,76)81-57-63(70)58-82-8 8(77,78)84-62-65(86-69(74)56-52-48-44-40-34-28-24-20-16-12-8-4)60-80-67(72)54-50 -46-42-38-36-32-30-26-22-18-14-10-6-2/h25,29,63-65,70H,5-24,26-28,30-62H2,1-4H3, (H,75,76)(H,77,78)/b29-25-/t63-,64-,65-/m1/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O)(O)(OC[C@](O)([H])CO P(OC[C@]([H])(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(O)=O)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |