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Cardiolipin (18:3(6Z,9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))

Properties

Image

Occurences in reactions

MNX_ID

MNXM883664

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₈₅H₁₄₀O₁₇P₂

charge

-2

mass

1494.95767

reference

slm:000574816

InChIKey

PDBAIIGDXYDGBD-DBABPXJGSA-L

InChI

InChI=1S/C85H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-39-41-43-47-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-37-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-45-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-46-42-35-31-27-23-19-15-11-7-3/h9,13,21-23,25-28,32-37,39,41-42,44,47-50,53,79-81,86H,5-8,10-12,14-20,24,29-31,38,40,43,45-46,51-52,54-78H2,1-4H3,(H,91,92)(H,93,94)/p-2/b13-9-,25-21-,26-22-,27-23-,32-28-,36-33-,37-34-,41-39-,42-35-,48-44-,50-47-,53-49-/t79?,80-,81-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
SLM:000574816 slm:000574816	Cardiolipin (18:3(6Z,9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) 1'-[1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho],3'-[1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho]-glycerol CL (18:3(6Z,9Z,12Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))