Biosynthesis of unsaturated fatty acids (icosanoyl)

Source	ID	Pathway
PathWhiz	PW002434

Pathway Metabolites

YMDB ID	Name CAS Number	IUPAC Name	Formula Weight	Structure
YMDB00045	Coenzyme A 85-61-0	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid	C21H36N7O16P3S 767.534
YMDB00069	Palmitic acid 57-10-3	hexadecanoic acid	C16H32O2 256.4241
YMDB00097	Adenosine monophosphate 61-19-8	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid	C10H14N5O7P 347.2212
YMDB00109	Adenosine triphosphate 56-65-5	({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid	C10H16N5O13P3 507.181
YMDB00112	L-Serine 56-45-1	(2S)-2-amino-3-hydroxypropanoic acid	C3H7NO3 105.0926
YMDB00183	3-Dehydrosphinganine 16105-69-4	(2S)-2-amino-1-hydroxyoctadecan-3-one	C18H37NO2 299.4919
YMDB00219	Pyrophosphate 14000-31-8	(phosphonooxy)phosphonic acid	H4O7P2 177.9751
YMDB00285	Phytosphingosine 554-62-1	(2S,3S,4R)-2-aminooctadecane-1,3,4-triol	C18H39NO3 317.5072
YMDB00301	Palmityl-CoA 1763-10-6	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(hexadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid	C37H66N7O17P3S 1005.943
YMDB00327	Sphinganine 764-22-7	(2S,3R)-2-aminooctadecane-1,3-diol	C18H39NO2 301.5078
YMDB00426	NADPH 53-57-6	{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid	C21H30N7O17P3 745.4209
YMDB00427	NADP 53-59-8	1-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1lambda5-pyridin-1-ylium	C21H29N7O17P3 744.4129
YMDB00470	trans-octadec-2-enoyl-CoA	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-octadec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid	C39H68N7O17P3S 1031.98
YMDB00477	3-oxooctadecanoyl-CoA 86370-20-9	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxooctadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid	C39H68N7O18P3S 1047.98
YMDB00527	palmitoyl-CoA 1763-10-6	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(hexadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid	C37H66N7O17P3S 1005.943
YMDB00533	malonyl-CoA 524-14-1	3-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3-oxopropanoic acid	C24H38N7O19P3S 853.58
YMDB00538	stearoyl-CoA 362-66-3	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(octadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid	C39H70N7O17P3S 1033.996
YMDB00682	stearic acid 57-11-4	octadecanoic acid	C18H36O2 284.4772
YMDB00732	3-oxoicosanoyl-CoA	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxoicosanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid	C41H72N7O18P3S 1076.033
YMDB00785	cerotic acid 57-10-3	hexacosanoic acid	C26H52O2 396.6899
YMDB00862	hydron 12408-02-5	hydron	H 1.00794
YMDB00890	water 7732-18-5	water	H2O 18.0153
YMDB00900	oxygen 7782-44-7	dioxygen	O2 31.9988
YMDB00912	Carbon dioxide 124-38-9	methanedione	CO2 44.0095
YMDB01099	(2S,3S,4R)-2-aminoicosane-1,3,4-triol	(2S,3S,4R)-2-aminoicosane-1,3,4-triol	C20H43NO3 345.5603
YMDB01101	4-Hydroxysphinganine 554-62-1	(2S,3S,4R)-2-aminooctadecane-1,3,4-triol	C18H39NO3 317.5072
YMDB16181	Eicosanoyl-CoA	(2R)-4-({[({[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-(2-{[2-(icosanoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-3,3-dimethylbutanimidic acid	C41H74N7O17P3S 1062.049
YMDB16292	(3R)-3-hydroxy-stearoyl-CoA	3-hydroxy-3-{[2-({2-[(3-hydroxyoctadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropyl ({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate	C39H66N7O18P3S 1045.97
YMDB16293	(3R)-3-hydroxy-arachidoyl-CoA	(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-{2-[(2-{[(3R)-3-hydroxyicosanoyl]sulfanyl}ethyl)carboximidato]ethyl}-3,3-dimethylbutanecarboximidate	C41H70N7O18P3S 1074.03
YMDB16294	(2E)-eicosenoyl-CoA	4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-N-(2-{[2-(icos-2-enoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-3,3-dimethylbutanimidic acid	C41H68N7O17P3S 1056.01
YMDB16308	N-icosanoylphytosphingosine	N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]icosanimidic acid	C38H77NO4 612.037

Pathway Proteins