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Cardiolipin (20:0/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)

Properties

Image

Occurences in reactions

MNX_ID

MNXM838702

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

formula

C₈₉H₁₅₄O₁₇P₂

charge

-2

mass

1557.06722

reference

slm:000528525

InChIKey

CSVBILUTAXSGFX-NXQWLULFSA-L

InChI

InChI=1S/C89H156O17P2/c1-5-9-13-17-21-25-29-33-37-40-41-44-47-50-54-58-62-66-70-74-87(92)100-79-84(105-88(93)75-71-67-63-59-55-51-45-36-32-28-24-20-16-12-8-4)81-103-107(95,96)101-77-83(90)78-102-108(97,98)104-82-85(106-89(94)76-72-68-64-60-56-52-48-43-39-35-31-27-23-19-15-11-7-3)80-99-86(91)73-69-65-61-57-53-49-46-42-38-34-30-26-22-18-14-10-6-2/h9,13,21,23,25,27,33,35,37,39,41,44,48,50,52,54,62,66,83-85,90H,5-8,10-12,14-20,22,24,26,28-32,34,36,38,40,42-43,45-47,49,51,53,55-61,63-65,67-82H2,1-4H3,(H,95,96)(H,97,98)/p-2/b13-9-,25-21-,27-23-,37-33-,39-35-,44-41-,52-48-,54-50-,66-62-/t83?,84-,85-/m1/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
SLM:000528525 slm:000528525	Cardiolipin (20:0/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) 1'-[1-eicosanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho],3'-[1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-octadecanoyl-sn-glycero-3-phospho]-glycerol CL (20:0/20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)