Structure Database (LMSD)

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LMSD: Lipid classification search results

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Fatty Acyls [FA]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMFA07050160 (S)-3-hydroxyoctanoyl-CoA 3S-hydroxyoctanoyl-CoA CoA 8:0;O C29H50N7O18P3S 909.214589
LMFA07050160 (S)-3-hydroxyoctanoyl-CoA 3S-hydroxyoctanoyl-CoA CoA 8:0;O C29H50N7O18P3S 909.214589
LMFA07050160 (S)-3-hydroxyoctanoyl-CoA 3S-hydroxyoctanoyl-CoA CoA 8:0;O C29H50N7O18P3S 909.214589
LMFA07050160 (S)-3-hydroxyoctanoyl-CoA 3S-hydroxyoctanoyl-CoA CoA 8:0;O C29H50N7O18P3S 909.214589
LMFA07010759 3-Methylbutyl dodecanoate 3-methylbutyl dodecanoate WE 17:0 C17H34O2 270.255881
LMFA07010759 3-Methylbutyl dodecanoate 3-methylbutyl dodecanoate WE 17:0 C17H34O2 270.255881
LMFA07010823 Cyclohexyl 3-methylbutanoate cyclohexyl 3-methylbutanoate WE 11:1 C11H20O2 184.146330
LMFA07010823 Cyclohexyl 3-methylbutanoate cyclohexyl 3-methylbutanoate WE 11:1 C11H20O2 184.146330
LMFA07010823 Cyclohexyl 3-methylbutanoate cyclohexyl 3-methylbutanoate WE 11:1 C11H20O2 184.146330
LMFA05000588 12-Tricosanol tricosan-12-ol FOH 23:0 C23H48O 340.370516
LMFA01050471 2,5-didehydro-D-gluconic acid D-threo-hexo-2,5-diulosonic acid FA 6:2;O5 C6H8O7 192.027005
LMFA01050471 2,5-didehydro-D-gluconic acid D-threo-hexo-2,5-diulosonic acid FA 6:2;O5 C6H8O7 192.027005
LMFA01050502 all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid FA 16:4;O C16H24O3 264.172545
LMFA01050502 all-trans-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid (2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoic acid FA 16:4;O C16H24O3 264.172545
LMFA05000619 2-Nonanol nonan-2-ol FOH 9:0 C9H20O 144.151415
LMFA05000612 2-Butyl-1-octanol 2-butyloctan-1-ol FOH 12:0 C12H26O 186.198365
LMFA07010824 Cyclohexyl butanoate cyclohexyl butanoate WE 10:1 C10H18O2 170.130680
LMFA07010824 Cyclohexyl butanoate cyclohexyl butanoate WE 10:1 C10H18O2 170.130680
LMFA08020162 (E,E)-2,4-Decadienoic isobutylamide (2E,4Z)-N-(2-methylpropyl)deca-2,4-dienamide NA 14:2 C14H25NO 223.193614
LMFA08020162 (E,E)-2,4-Decadienoic isobutylamide (2E,4Z)-N-(2-methylpropyl)deca-2,4-dienamide NA 14:2 C14H25NO 223.193614
LMFA08020162 (E,E)-2,4-Decadienoic isobutylamide (2E,4Z)-N-(2-methylpropyl)deca-2,4-dienamide NA 14:2 C14H25NO 223.193614
LMFA07010842 Dodecyl 2-methylpropanoate dodecyl 2-methylpropanoate WE 16:0 C16H32O2 256.240231
LMFA07010842 Dodecyl 2-methylpropanoate dodecyl 2-methylpropanoate WE 16:0 C16H32O2 256.240231
LMFA07010438 hexyl hexanoate hexyl hexanoate WE 12:0 C12H24O2 200.177630
LMFA07070065 Glutaconylcarnitine (3S)-3-{[(2E)-4-carboxybut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate CAR 5:2;O2 C12H19NO6 273.121239
LMFA07070065 Glutaconylcarnitine (3S)-3-{[(2E)-4-carboxybut-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate CAR 5:2;O2 C12H19NO6 273.121239
LMFA07070094 O-methylmalonylcarnitine 3-[(2-carboxypropanoyl)oxy]-4-(trimethylazaniumyl)butanoate CAR 4:1;O2 C11H19NO6 261.121239
LMFA07070094 O-methylmalonylcarnitine 3-[(2-carboxypropanoyl)oxy]-4-(trimethylazaniumyl)butanoate CAR 4:1;O2 C11H19NO6 261.121239
LMFA07050219 3-hydroxyisoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:0;O C38H68N7O18P3S 1035.355440
LMFA07050219 3-hydroxyisoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:0;O C38H68N7O18P3S 1035.355440
LMFA07050219 3-hydroxyisoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:0;O C38H68N7O18P3S 1035.355440
LMFA07050219 3-hydroxyisoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:0;O C38H68N7O18P3S 1035.355440
LMFA07050219 3-hydroxyisoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:0;O C38H68N7O18P3S 1035.355440
LMFA07050219 3-hydroxyisoheptadecanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 17:0;O C38H68N7O18P3S 1035.355440
LMFA07050348 Malyl-CoA (2S)-4-{[2-(3-{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}-2-hydroxy-4-oxobutanoic acid CoA 4:1;O3 C25H40N7O20P3S 883.126169
LMFA07050348 Malyl-CoA (2S)-4-{[2-(3-{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}-2-hydroxy-4-oxobutanoic acid CoA 4:1;O3 C25H40N7O20P3S 883.126169
LMFA07050348 Malyl-CoA (2S)-4-{[2-(3-{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}-2-hydroxy-4-oxobutanoic acid CoA 4:1;O3 C25H40N7O20P3S 883.126169
LMFA07050348 Malyl-CoA (2S)-4-{[2-(3-{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}-2-hydroxy-4-oxobutanoic acid CoA 4:1;O3 C25H40N7O20P3S 883.126169
LMFA07050348 Malyl-CoA (2S)-4-{[2-(3-{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}-2-hydroxy-4-oxobutanoic acid CoA 4:1;O3 C25H40N7O20P3S 883.126169
LMFA07050348 Malyl-CoA (2S)-4-{[2-(3-{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}-2-hydroxy-4-oxobutanoic acid CoA 4:1;O3 C25H40N7O20P3S 883.126169
LMFA07010919 Isopentyl isopentanoate 3-methylbutyl 3-methylbutanoate WE 10:0 C10H20O2 172.146330
LMFA07010919 Isopentyl isopentanoate 3-methylbutyl 3-methylbutanoate WE 10:0 C10H20O2 172.146330
LMFA07010977 Nonyl isovalerate nonyl 3-methylbutanoate WE 14:0 C14H28O2 228.208930
LMFA07010977 Nonyl isovalerate nonyl 3-methylbutanoate WE 14:0 C14H28O2 228.208930
LMFA07070109 trans-Hexadec-2-enoyl carnitine 3-[(2E)-hexadec-2-enoyloxy]-4-(trimethylazaniumyl)butanoate CAR 16:1 C23H43NO4 397.319209
LMFA07070109 trans-Hexadec-2-enoyl carnitine 3-[(2E)-hexadec-2-enoyloxy]-4-(trimethylazaniumyl)butanoate CAR 16:1 C23H43NO4 397.319209
LMFA07010797 Butyl undecylenate butyl undec-10-enoate SFE 15:1 C15H28O2 240.208930
LMFA07010797 Butyl undecylenate butyl undec-10-enoate SFE 15:1 C15H28O2 240.208930
LMFA07010915 Isobutyl 2-furanpropionate 2-methylpropyl 3-(furan-2-yl)propanoate WE 11:3;O C11H16O3 196.109945
LMFA07010915 Isobutyl 2-furanpropionate 2-methylpropyl 3-(furan-2-yl)propanoate WE 11:3;O C11H16O3 196.109945