RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0134049
RefMet name	CL 78:9
Alternative name	CL(78:9)
Sum Composition	CL 78:9	View other entries in RefMet with this sum composition
Exact mass	1531.050481 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C87H152O17P2	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Cardiolipins
Sub Class	CL (Cardiolipins)
Distribution of CL 78:9 in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting CL 78:9
External Links
ChEBI ID	72920
KEGG ID	C05980
Structural annotation level
Annotation level	4   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Abbrev	# of Studies	Refmet name(exact structures)	Systematic name
CL 18:1_20:0_20:4_20:4			1'-[1-(9Z-octadecenoyl)-2-eicosanoyl-sn-glycero-3-phospho],3'-[1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-eicosanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-eicosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-eicosanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-eicosanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-eicosanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-eicosanoyl-sn-glycero-3-phospho],3'-[1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-(9Z-octadecenoyl)-2-eicosanoyl-sn-glycero-3-phospho]-sn-glycerol
CL 18:1_20:0_20:4_20:4			1'-[1,2-di-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho],3'-[1-eicosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho]-sn-glycerol

Table of KEGG reactions in human pathways involving CL 78:9

Rxn ID	KEGG Reaction	Enzyme
R02030	Phosphatidylglycerol + CDP-diacylglycerol <=> Cardiolipin + CMP	CDP-diacylglycerol:phosphatidylglycerol 3-phosphatidyltransferase
R09037	Acyl-CoA + Monolysocardiolipin <=> CoA + Cardiolipin	Acyl-CoA + Monolysocardiolipin <=> CoA + Cardiolipin

Table of KEGG human pathways containing CL 78:9

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	2