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Bovine Rumen Metabolome Database

Browsing metabolites

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Showing 1-50 out of 335

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RMDB ID Name
CAS Number
IUPAC Name Structure Formula
Average Mass DescendingMono Mass
Biofluid Location
RMDB13470
MetaboCard button for RMDB13470
LPS-o-antigen
(2R,5R)-5-[(2R,3R,5R)-4-[(2R,3R,5R)-4-[(2R,5R)-4-[(2R,5R)-3-[(2R,5S)-3-[(2R,3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,5S)-4-[(3R,6S)-5-[(2R,5R)-4-[(2R,5R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[2-[(2S,3R,5S)-5-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3-hydroxy-5-phosphonooxyoxan-2-yl]oxy-5-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy-6-(1,2-dihydroxyethyl)-3-hydroxyoxan-2-yl]oxy-4-[(2R,5R)-2-carboxy-4-[(2R,5R)-2-carboxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-(1,2-dihydroxyethyl)-5-hydroxyoxan-2-yl]oxy-6-(1,2-dihydroxyethyl)-2-[[(3S,5S,6R)-5-(3-dodecanoyloxytetradecanoylamino)-6-[[(3S,4R,6S)-3-hydroxy-4-(3-hydroxytetradecanoyloxy)-5-pentadecyl-6-(phosphonomethyl)oxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]oxane-2-carboxylic acid Structure C211H376N8O126P6
5227.064
5224.168457
  • Rumen
RMDB13471
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LPS core
3, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl) oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3, 5-dihydroxy-6-[[(2R,5R)-3,4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[2-[ (2S,3R,5S)-5-(1,2-dihydroxyethyl)-3,4, 5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3-hydroxy-5-phosphonooxyoxan- 2-yl]oxy-5-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-hydroxyphosphoryl]oxy- 6-(1,2-dihydroxyethyl)-3-hydroxyoxan-2-yl]oxy-4-[(2R, 5R)-2-carboxy-4-[(2R,5R)-2-carboxy-6-(1,2-dihydroxyethyl)-4, 5-dihydroxyoxan-2-yl]oxy-6-(1, 2-dihydroxyethyl)-5-hydroxyoxan-2-yl]oxy-6-(1,2-dihydroxyethyl)-2-[[(3S, 5S,6R)-5-(3-dodecanoyloxytetradecanoylamino)-6-[[(3S,4R, 6S)-3-hydroxy-4-(3-hydroxytetradecanoyloxy)-5-pentadecyl-6- (phosphonomethyl)oxan-2-yl]methoxy]-3-phosphonooxy-4-(3- tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]oxane-2-carboxylic acid Structure C175H317N5O101P6
4293.205
4290.824707
  • Rumen
RMDB08569
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PC(22:1(13Z)/20:0)
1-(13Z-docosenoyl)-2-eicosanoyl-sn-glycero-3-phosphocholine Structure C50H98NO8P
872.289
871.703003
  • Rumen
RMDB08283
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PC(20:0/22:1(13Z))
1-eicosanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine Structure C50H98NO8P
872.289
871.703003
  • Rumen
RMDB20008
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PC(20:2(11Z,14Z)/22:0)
(2-{[(2R)-2-(docosanoyloxy)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C50H96NO8P
870.273
869.687378
  • Rumen
RMDB20019
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PC(22:0/20:2(11Z,14Z))
(2-{[(2R)-3-(docosanoyloxy)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C50H96NO8P
870.273
869.687378
  • Rumen
RMDB20107
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PC(o-24:0/18:1(9Z))
trimethyl(2-{[(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(tetracosyloxy)propyl phosphonato]oxy}ethyl)azanium Structure C50H100NO7P
858.305
857.723755
  • Rumen
RMDB20085
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PC(o-20:0/22:1(13Z))
(2-{[(2R)-2-[(11Z)-docos-11-enoyloxy]-3-(icosyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium Structure C50H100NO7P
858.305
857.723755
  • Rumen
RMDB20084
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PC(o-18:3(9Z,12Z,15Z)/24:0)
trimethyl(2-{[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-yloxy]-2-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)azanium Structure C50H96NO7P
854.274
853.692444
  • Rumen
RMDB20095
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PC(o-20:2(11Z,14Z)/22:1(13Z))
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(11Z,14Z)-icosa-11,14-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C50H96NO7P
854.274
853.692444
  • Rumen
RMDB20105
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PC(o-22:1(13Z)/20:0)
(2-{[(2R)-3-[(13Z)-henicos-13-en-1-yloxy]-2-(icosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium Structure C49H98NO7P
844.279
843.708069
  • Rumen
RMDB08151
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PC(18:2(9Z,12Z)/22:1(13Z))
1-(9Z,12Z-octadecadienoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine Structure C48H90NO8P
840.204
839.640381
  • Rumen
RMDB08565
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PC(22:1(13Z)/18:2(9Z,12Z))
1-(13Z-docosenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine Structure C48H90NO8P
840.204
839.640381
  • Rumen
RMDB01088
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Butyryl-CoA
2140-48-9
[5-(6-aminopurin-9-yl)-2-[[[[3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-pho
sphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
Structure C25H42N7O17P3S
837.624
837.157104
  • Rumen
  • Urine
RMDB13469
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SM(d18:0/24:1(15Z)(OH))
Structure C47H93N2O7P
829.224
828.672058
  • Rumen
RMDB20067
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PC(o-18:1(9Z)/22:1(13Z))
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-en-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C48H94NO7P
828.236
827.676819
  • Rumen
RMDB20098
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PC(o-22:0/18:2(9Z,12Z))
(2-{[(2R)-3-(docosyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C48H94NO7P
828.236
827.676819
  • Rumen
RMDB20026
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PC(o-20:0/20:2(11Z,14Z))
(2-{[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(icosyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium Structure C48H94NO7P
828.236
827.676819
  • Rumen
RMDB20094
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PC(o-20:2(11Z,14Z)/20:0)
(2-{[(2R)-3-[(11Z,14Z)-icosa-11,14-dien-1-yloxy]-2-(icosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium Structure C48H94NO7P
828.236
827.676819
  • Rumen
RMDB20083
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PC(o-18:3(9Z,12Z,15Z)/22:0)
(2-{[(2R)-2-(docosanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C48H92NO7P
826.220
825.661133
  • Rumen
RMDB20076
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PC(o-18:2(9Z,12Z)/22:1(13Z))
(2-{[(2R)-2-[(11Z)-docos-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C48H92NO7P
826.220
825.661133
  • Rumen
RMDB08109
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PC(18:1(9Z)/20:0)
1-(9Z-octadecenoyl)-2-eicosanoyl-sn-glycero-3-phosphocholine Structure C46H90NO8P
816.182
815.640381
  • Rumen
RMDB07986
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PC(16:0/22:1(13Z))
1-hexadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine Structure C46H90NO8P
816.182
815.640381
  • Rumen
RMDB08561
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PC(22:1(13Z)/16:0)
1-(13Z-docosenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine Structure C46H90NO8P
816.182
815.640381
  • Rumen
RMDB08269
MetaboCard button for RMDB08269
PC(20:0/18:1(9Z))
1-eicosanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine Structure C46H90NO8P
816.182
815.640381
  • Rumen
RMDB20103
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PC(o-22:1(13Z)/18:1(9Z))
(2-{[(2R)-3-[(13Z)-henicos-13-en-1-yloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C47H92NO7P
814.210
813.661133
  • Rumen
RMDB12107
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SM(d18:1/24:1(15Z))
2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium Structure C47H93N2O6P
813.225
812.677124
  • Rumen
RMDB20104
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PC(o-22:1(13Z)/18:2(9Z,12Z))
(2-{[(2R)-3-[(13Z)-henicos-13-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C47H90NO7P
812.194
811.645508
  • Rumen
RMDB20106
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PC(o-22:1(13Z)/20:2(11Z,14Z))
(2-{[(2R)-3-[(13Z)-henicos-13-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C47H90NO7P
812.194
811.645508
  • Rumen
RMDB08145
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PC(18:2(9Z,12Z)/20:2(11Z,14Z))
1-(9Z,12Z-octadecadienoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphocholine Structure C46H84NO8P
810.135
809.593445
  • Rumen
RMDB08336
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PC(20:2(11Z,14Z)/18:2(9Z,12Z))
1-(11Z,14Z-eicosadienoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine Structure C46H84NO8P
810.135
809.593445
  • Rumen
RMDB08210
MetaboCard button for RMDB08210
PC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))
1-(9Z,12Z,15Z-octadeatrienoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphocholine Structure C46H82NO8P
808.119
807.577820
  • Rumen
RMDB08338
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PC(20:2(11Z,14Z)/18:3(9Z,12Z,15Z))
1-(11Z,14Z-eicosadienoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphocholine Structure C46H82NO8P
808.119
807.577820
  • Rumen
RMDB13430
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PC(o-18:1(9Z)/20:0)
1-(9Z-octadecenyl)-2-eicosanoyl-sn-glycero-3-phosphocholine Structure C46H92NO7P
802.199
801.661133
  • Rumen
RMDB20097
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PC(o-22:0/16:1(9Z))
(2-{[(2R)-3-(docosyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H92NO7P
802.199
801.661133
  • Rumen
RMDB20028
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PC(o-20:0/18:1(9Z))
(2-{[(2R)-3-(icosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H92NO7P
802.199
801.661133
  • Rumen
RMDB20058
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PC(o-16:0/22:1(13Z))
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(hexadecyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H92NO7P
802.199
801.661133
  • Rumen
RMDB13466
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SM(d18:0/22:1(13Z)(OH))
Structure C45H89N2O7P
801.171
800.640747
  • Rumen
RMDB13436
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PC(o-18:2(9Z,12Z)/20:0)
1-(9Z,12Z-octadecadienyl)-2-eicosanoyl-sn-glycero-3-phosphocholine Structure C46H90NO7P
800.183
799.645508
  • Rumen
RMDB20090
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PC(o-20:2(11Z,14Z)/18:0)
(2-{[(2R)-3-[(11Z,14Z)-icosa-11,14-dien-1-yloxy]-2-(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H90NO7P
800.183
799.645508
  • Rumen
RMDB20036
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PC(o-18:0/20:2(11Z,14Z))
(2-{[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(octadecyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H90NO7P
800.183
799.645508
  • Rumen
RMDB20029
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PC(o-20:0/18:2(9Z,12Z))
(2-{[(2R)-3-(icosyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H90NO7P
800.183
799.645508
  • Rumen
RMDB13467
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SM(d18:0/22:2(13Z,16Z)(OH))
Structure C45H87N2O7P
799.155
798.625061
  • Rumen
RMDB13440
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PC(o-20:0/18:3(9Z,12Z,15Z))
1-eicosanyl-2-(9Z,12Z,15Z-octadeatrienoyl)-sn-glycero-3-phosphocholine Structure C46H88NO7P
798.167
797.629822
  • Rumen
RMDB20066
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PC(o-18:1(9Z)/20:2(11Z,14Z))
(2-{[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z)-octadec-9-en-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H88NO7P
798.167
797.629822
  • Rumen
RMDB20091
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PC(o-20:2(11Z,14Z)/18:1(9Z))
(2-{[(2R)-3-[(11Z,14Z)-icosa-11,14-dien-1-yloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H88NO7P
798.167
797.629822
  • Rumen
RMDB20081
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PC(o-18:3(9Z,12Z,15Z)/20:0)
(2-{[(2R)-2-(icosanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H88NO7P
798.167
797.629822
  • Rumen
RMDB20092
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PC(o-20:2(11Z,14Z)/18:2(9Z,12Z))
(2-{[(2R)-3-[(11Z,14Z)-icosa-11,14-dien-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H86NO7P
796.151
795.614197
  • Rumen
RMDB20075
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PC(o-18:2(9Z,12Z)/20:2(11Z,14Z))
(2-{[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H86NO7P
796.151
795.614197
  • Rumen
RMDB20093
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PC(o-20:2(11Z,14Z)/18:3(9Z,12Z,15Z))
(2-{[(2R)-3-[(11Z,14Z)-icosa-11,14-dien-1-yloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium Structure C46H84NO7P
794.135
793.598511
  • Rumen
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