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Cardiolipin (20:3(8Z,11Z,14Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:2(9Z,12Z))

Properties

Image

Occurences in reactions

MNX_ID

MNXM895628

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

formula

C₈₇H₁₄₆O₁₇P₂

charge

-2

mass

1525.00462

reference

slm:000587284

InChIKey

XMLJLJPLVNDMHA-HGHQEEPDSA-L

InChI

InChI=1S/C87H148O17P2/c1-5-9-13-17-21-25-29-33-36-39-40-43-45-49-52-56-60-64-68-72-85(90)97-77-82(103-86(91)73-69-65-61-57-53-47-32-28-24-20-16-12-8-4)79-101-105(93,94)99-75-81(88)76-100-106(95,96)102-80-83(104-87(92)74-70-66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)78-98-84(89)71-67-63-59-55-51-48-44-41-37-34-30-26-22-18-14-10-6-2/h16,20-22,25-26,28,32-38,40,43-44,48-49,52,60,64,81-83,88H,5-15,17-19,23-24,27,29-31,39,41-42,45-47,50-51,53-59,61-63,65-80H2,1-4H3,(H,93,94)(H,95,96)/p-2/b20-16-,25-21-,26-22-,32-28-,36-33-,37-34-,38-35-,43-40-,48-44-,52-49-,64-60-/t81?,82-,83-/m1/s1

SMILES

CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
SLM:000587284 slm:000587284	Cardiolipin (20:3(8Z,11Z,14Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:2(9Z,12Z)) 1'-[1-(8Z,11Z,14Z-eicosatrienoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z,12Z-hexadecadienoyl)-sn-glycero-3-phospho]-glycerol CL (20:3(8Z,11Z,14Z)/20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:2(9Z,12Z))