In-Silico Structure database (LMISSD)

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LM IDLMGP12019AA1
Common NameCL(1'-[14:0/14:0],3'-[14:1(9Z)/18:3(9Z,12Z,15Z)])
Systematic Name1'-[1-2-di-tetradecanoyl-sn-glycero-3-phospho],3'-[1-(9Z-tetradecenoyl)-2-(9Z,
12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho]-sn-glycerol
SynonymsCL(60:4); CL(14:0_14:0_14:1_18:3)
Exact Mass
1288.8470 (neutral)    Calculate m/z:
FormulaC69H126O17P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphoglycerols [GP12]
Sub ClassDiacylglycerophosphoglycerophosphodiradylglycerols [GP1201]
PubChem Compound ID (CID)-
InChIKeyIKVOSZHZCGAUBX-YWJMWMCDSA-N
InChIInChI=1S/C69H126O17P2/c1-5-9-13-17-21-25-29-30-31-32-36-40-44-48-52-56-69(74)86-
65(60-80-67(72)54-50-46-42-38-34-27-23-19-15-11-7-3)62-84-88(77,78)82-58-63(70)5
7-81-87(75,76)83-61-64(85-68(73)55-51-47-43-39-35-28-24-20-16-12-8-4)59-79-66(71
)53-49-45-41-37-33-26-22-18-14-10-6-2/h9,13,19,21,23,25,30-31,63-65,70H,5-8,10-1
2,14-18,20,22,24,26-29,32-62H2,1-4H3,(H,75,76)(H,77,78)/b13-9-,23-19-,25-21-,31-
30-/t63-,64-,65-/m1/s1
SMILESP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O)(O)(OC[C@](O)([H])COP(OC[
C@]([H])(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC)(O)=O)=O
MS Spectra-     
StatusActive (generated by computational methods)