In-Silico Structure database (LMISSD)
| |
LM ID | LMGP1201ACEC |
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Common Name | CL(1'-[18:3(6Z,9Z,12Z)/14:1(9Z)],3'-[14:1(9Z)/14:1(9Z)]) |
Systematic Name | 1'-[1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phospho], 3'-[1-2-di-(9Z-tetradecenoyl)-sn-glycero-3-phospho]-sn-glycerol |
Synonyms | CL(60:6); CL(14:1_14:1_14:1_18:3) |
Exact Mass | |
Formula | C69H122O17P2 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerophosphoglycerols [GP12] |
Sub Class | Diacylglycerophosphoglycerophosphodiradylglycerols [GP1201] |
PubChem Compound ID (CID) | - |
InChIKey | XKFAUJDKKGQBPY-RYIODKQYSA-N |
InChI | InChI=1S/C69H122O17P2/c1-5-9-13-17-21-25-29-30-31-32-36-38-42-46-50-54-67(72)80- 60-65(86-69(74)56-52-48-44-40-35-28-24-20-16-12-8-4)62-84-88(77,78)82-58-63(70)5 7-81-87(75,76)83-61-64(85-68(73)55-51-47-43-39-34-27-23-19-15-11-7-3)59-79-66(71 )53-49-45-41-37-33-26-22-18-14-10-6-2/h18-25,30-31,36,38,63-65,70H,5-17,26-29,32 -35,37,39-62H2,1-4H3,(H,75,76)(H,77,78)/b22-18-,23-19-,24-20-,25-21-,31-30-,38-3 6-/t63-,64+,65+/m0/s1 |
SMILES | P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=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) |