Mass2Motif: motif_367

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Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: Amphotericin related Mass2Motif

Short Annotation: Amphotericin related

Mass2Motif Details

The following table shows the fragment and loss features that are explained by this Mass2Motifs and their corresponding probabilities. After thresholding to save the model, the total probability left in this motif is 0.856340075473653. The column MAGMa Substructure Annotation shows substructures and the counts of MAGMa annotations for documents linked above threshold to this motif in this experiment. Hovering over each MAGMa substructure shows a plot of the substructure.

Feature Probability MAGMA Substructure Annotation
fragment_135.0575 0.040
  • CC(=O)Nc1cccnc1 (3)
loss_181.0975 0.026
  • CC1OC(O)C(O)C(N)C1O.O (2)
fragment_672.4425 0.026
  • CCCCCCC(C)C1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)O1 (2)
fragment_743.3975 0.026
  • CC1C=CC=CC=CC=CC=CC=CC=CCCC2OC(O)(CC(O)CC(O)C(O)CCC(O)CCCC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O (2)
loss_180.0925 0.024
  • CC1OC(O)C(O)C(N)C1O.O (3)
fragment_744.4025 0.022
  • CC1C=CC=CC=CC=CC=CC=CC=CCCC2OC(O)(CC(O)CC(O)C(O)CCC(O)CCCC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O (3)
fragment_313.1675 0.021
  • C=CC=CC=CC=CC=CC=CCOC1CC(N)C(O)C(C)O1 (3)
fragment_743.4025 0.017
  • CC1C=CC=CC=CC=CC=CC=CC=CCCC2OC(O)(CC(O)CC(O)C(O)CCC(O)CCCC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O (2)
loss_181.0925 0.017
  • CC1OC(O)C(O)C(N)C1O.O (2)
fragment_725.3875 0.015
  • CC1C=CC=CC=CC=CC=CC=CC=CCCC2OC(O)(CC(O)CCC(O)CCC(O)CCCC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O (3)
loss_199.1075 0.015
  • CC1OC(O)C(O)C(N)C1O.O.O (3)
loss_100.0575 0.015
  • CC=C(C)C(=O)O (1)
  • CCC(C)=O.CO (1)
fragment_267.1775 0.014
  • C=CC=CC=CC=CC=CC=CC=CC(C)C(O)CC (3)
fragment_302.1025 0.013
  • CC1(C)CCc2c(cc(OCC(N)=O)c3ccc(=O)oc23)O1 (1)
loss_143.1275 0.013
  • CC.CCN1CCOCC1 (1)
fragment_259.0925 0.013
  • C=C1C(=O)OC2C=C(C)C3=CC(=O)C(C)(CCC12)O3 (1)
fragment_213.0875 0.013
  • C=CC1CC=C(C)C2=CC(=O)C(C)(CC1)O2 (1)
fragment_922.0075 0.012
loss_146.0625 0.012
  • CC=C(C)C(=O)O.O=CO (1)
fragment_689.3675 0.011
  • CCC(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(CC1OC(O)(CCO)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (2)
fragment_185.0925 0.010
  • C=CC=CC=CC=CC=CC=CCO (1)
loss_174.0575 0.009
loss_118.0675 0.009
  • CC=C(C)C(=O)O.O (1)
fragment_241.0825 0.009
  • C=C1C(=O)OC2C=C(C)C=CC(=O)C(C)CCC12 (1)
fragment_231.0975 0.009
  • C=CC1CCC2(C)OC(=CC2=O)C(C)=CC1O (1)
loss_128.0525 0.009
  • C=O.CC=C(C)C(=O)O (1)
fragment_673.4375 0.008
loss_165.0725 0.008
  • NC(Cc1ccccc1)C(=O)O (2)
fragment_671.3525 0.007
  • C=CC=CC=CC=CC(C)C(O)C(C)C(C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC1(O)CC(O)C(C(=O)O)C(C)O1 (1)
fragment_231.0675 0.007
  • CCc1c(O)cc(O)c2c(cc(=O)oc12)CC (2)
fragment_507.3575 0.007
  • CCCCCCC(C)CCC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C=O)C(C)C (2)
fragment_707.3775 0.007
  • CC(O)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(CC1OC(O)(CCO)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (2)
loss_198.1075 0.006
  • CC1OC(O)C(O)C(N)C1O.O.O (3)
fragment_726.3875 0.006
  • CC1C=CC=CC=CC=CC=CC=CC=CCCC2OC(O)(CC(O)CCC(O)CCC(O)CCCC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O (3)
fragment_193.0925 0.006
fragment_672.3575 0.006
  • CCC(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(CC1OC(O)(CCO)CC(O)C1C(=O)O)OC1OC(C)C(O)CC1O (2)
fragment_907.4875 0.006
  • CC1C=CC=CC=CC=CC=CC=CC=CC(CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O)OC1OC(C)C(O)CC1O (1)
fragment_906.4875 0.006
  • CC1C=CC=CC=CC=CC=CC=CC=CC(CC2OC(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O)OC1OC(C)C(O)C(N)C1O (1)
fragment_671.3575 0.006
  • C=CC=CC=CC=CC(C)C(O)C(C)C(C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC1(O)CC(O)C(C(=O)O)C(C)O1 (1)
fragment_409.1775 0.006
  • Cc1c(C)c2c(OCC(=O)Nc3cccnc3)cc3c(c2oc1=O)CCC(C)(C)O3 (1)
  • CCc1cc(=O)oc2c3c(cc(OCC(=O)Nc4cccnc4)c12)OC(C)(C)CC3 (1)
fragment_690.3675 0.005
  • CC(O)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(CC1OC(O)(CCO)CC(O)C1C(=O)O)OC1OC(C)C(O)CC1O (2)
fragment_673.4425 0.005
fragment_707.3725 0.005
  • CC(O)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(CC1OC(O)(CCO)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (1)
fragment_237.1225 0.005
  • CC(N)C(=O)NC(Cc1ccccc1)C(=O)O (2)
fragment_323.2375 0.005
  • CCCCCCC(C)CCC(=O)NCC(=O)NC(C=O)C(C)C (2)
fragment_923.0125 0.005
fragment_229.1125 0.005
  • CCC(O)C(O)CCC(O)CC(O)CC=O (3)
  • CC=CC=CC=CCOC1CC(N)CC(C)O1 (1)
fragment_185.1675 0.005
  • CC(C)CCNC(=O)C(N)C(C)C (1)
fragment_674.4475 0.005
loss_87.0675 0.004
  • C1COCCN1 (1)
fragment_358.1675 0.004
  • CCNC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)cc(CC)c12 (1)
fragment_303.1275 0.004
  • C=CC(CC(O)CC(=O)O)OC1OC(C)C(O)C(N)C1O (2)
fragment_551.2725 0.004
  • CCC(O)C(C)C(C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC1(O)CC(O)C(CO1)C(=O)O (2)
fragment_341.2375 0.004
  • CCCCCCC(C)C(O)CC(=O)NCC(=O)NC(C=O)C(C)C (1)
fragment_269.1425 0.004
  • C=CC=CC=CCCC1OC(O)CC(O)C1C(=O)O (2)
fragment_569.2875 0.004
  • C=CC=CC=CC=CC=CC(CC1OC(O)(CC(O)CCO)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (2)
fragment_745.4025 0.004
  • CC1C=CC=CC=CC=CC=CC=CC=CCCC2OC(O)(CC(O)CC(O)C(O)CCC(O)CCCC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O (3)
  • CCC(C)CC(C)C=CC=CC=CC=CC=CC=CC=CC(CC1OC(O)(CC(O)CC(O)CO)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (1)
loss_147.0725 0.004
  • NC(C=O)Cc1ccccc1 (2)
fragment_166.0875 0.004
  • NC(Cc1ccccc1)C(=O)O (2)
fragment_708.3825 0.004
  • CC(O)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(CC1OC(O)(CCO)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (2)
  • C=CC=CC=CC=CC=CC=CC(C)C(O)C(C)C(C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC1(O)CC(O)C(CO1)C(=O)O (1)
fragment_337.1825 0.004
  • O=CCC(O)CC(O)CCC(O)C(O)CC(O)CC(O)CCO (2)
fragment_211.1075 0.004
fragment_224.1625 0.004
  • CCCCCCC(C)CCC(=O)NCC=O (1)
fragment_297.1375 0.004
  • C=CC=CCCC1OC(O)(CC(C)O)CC(O)C1C(=O)O (1)
  • C=CC=CC=CC=CC=CC=CCOC1CC(N)C(O)CO1 (1)
fragment_196.1675 0.004
  • CCCCCCC(C)CCC(=O)NC (2)
fragment_445.2375 0.003
  • CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCN4CCOCC4)c12)OC(C)(C)CC3 (1)
fragment_653.3425 0.003
  • C=CC=CC=CC=CC=CC=CC(CC1OC(O)(CC(O)CC(O)C(O)CC)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (2)
loss_179.0925 0.003
  • CC1OC(O)C(O)C(N)C1O.O (3)
fragment_295.1525 0.003
  • C=CC=CC=CC=CCCC1OC(O)CC(O)C1C(=O)O (2)
fragment_423.2025 0.003
  • C=CC=CC=CC=CCCC1OC(O)(CC(O)CC(O)C(C)O)CC(O)C1C(=O)O (2)
fragment_205.0525 0.003
  • Cc1c(O)cc(O)c2c(C)cc(=O)oc12 (1)
fragment_100.0775 0.003
  • CN1CCOCC1 (1)
fragment_242.1925 0.003
  • CC(C)CCNC(=O)C(NC(=O)CN)C(C)C (1)
fragment_213.1575 0.003
  • CC(C)CC(=O)NC(CC(C)C)C(N)=O (1)
fragment_405.1925 0.003
  • C=CC=CC=CC=CC=CCCC1OC(O)(CC(O)CCO)CC(O)C1C(=O)O (2)
fragment_761.4125 0.003
  • CC1C=CC=CC=CC=CC=CC=CC=CCCC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O (1)
loss_163.0875 0.003
  • CC1OC(O)C(O)C(N)C1O (1)
fragment_185.1325 0.003
  • CC(C)CC(N)C(=O)NC(C)C=O (1)
  • C=CC=CC=CC=CC=CC=CCC (1)
fragment_219.0675 0.003
  • CCc1cc(=O)oc2c(C)c(O)cc(O)c12 (2)
  • Cc1c(C)c2c(O)cc(O)c(C)c2oc1=O (1)
fragment_321.1375 0.003
  • C=CC=CC=CC=CC(O)CC1OC(C)(O)CC(O)C1C(=O)O (1)
fragment_337.1775 0.003
  • O=CCC(O)CC(O)CCC(O)C(O)CC(O)CC(O)CCO (1)
fragment_303.1075 0.003
  • CC1(C)CCc2c(cc(OCC(N)=O)c3ccc(=O)oc23)O1 (1)
loss_142.1275 0.003
  • CC.CCN1CCOCC1 (1)
fragment_449.2725 0.003
  • CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)O (1)
fragment_203.1025 0.003
loss_156.0475 0.003
fragment_287.1275 0.003
  • CCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OC)c12 (2)
fragment_171.1125 0.003
  • CC(=O)NCCN1CCOCC1 (1)
fragment_673.3925 0.003
fragment_644.4475 0.003
  • CCCCCCC(C)C(C)OC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)CN)C(C)C (2)
loss_178.1075 0.003
  • CC(=O)Nc1cccnc1.CCC (1)
fragment_314.1675 0.003
  • C=CC=CC=CC=CC=CC=CCOC1CC(N)C(O)C(C)O1 (2)
loss_198.0925 0.002
  • C=C(CCOC(=O)C(C)=CC)C(=O)O (1)
fragment_161.0575 0.002
  • CC=C(C)C1=CC(=O)C(C)(C)O1 (1)
fragment_389.2075 0.002
  • C=CC(CC1CC(O)CC(O)(CC(C)O)O1)OC1OC(C)C(O)C(N)C1O (2)
fragment_436.3175 0.002
  • CCCCCCC(C)CCC(=O)NCC(=O)NC(C(=O)NC(C=O)CC(C)C)C(C)C (1)
fragment_525.3575 0.002
  • CCCCCCC(C)C(O)CC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C=O)C(C)C (1)
fragment_193.0975 0.002
fragment_587.2975 0.002
  • C=CC=CC=CC=CC(CC1OC(O)(CC(O)CC(O)C(C)O)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (2)
fragment_295.2175 0.002
fragment_211.1025 0.002
fragment_377.2075 0.002
  • CCC(O)C(C)C(C)OC(=O)CC(O)CC(O)CCC(O)C(O)CCO (2)
  • C=CC(CC1CC(O)CC(O)(CCO)O1)OC1OC(C)C(O)C(N)C1O (1)
fragment_592.2775 0.002
fragment_179.0775 0.002
loss_80.1575 0.002
fragment_321.1425 0.002
  • CC(O)C(C(=O)O)C(O)CCOC1OC(C)C(O)C(N)C1O (1)
loss_162.0775 0.002
  • CC1OC(O)C(O)C(N)C1O (1)
fragment_762.4175 0.002
  • CC1C=CC=CC=CC=CC=CC=CC=CCCC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O (1)
loss_81.1775 0.002
fragment_591.2525 0.002
fragment_673.1475 0.002
fragment_535.2525 0.002
  • C=CC=CC(CC1OC(O)(CC(O)CC(O)C(C)O)CC(O)C1C(=O)O)OC1OC(C)C(O)C(N)C1O (1)
  • C=CC=CC=CC=CC=CC=CC(O)CC1OC(O)(CC(O)CC(O)C(O)CCCO)CC(O)C1C(=O)O (1)
fragment_295.2425 0.002
  • CCCCCCC(C)CCC(=O)NCC(=O)NCC(C)C (1)
fragment_525.3775 0.002
  • CCCCCCC(C)C(O)CC(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C=O)C(C)C (1)
loss_147.0575 0.002
  • NC(C=O)Cc1ccccc1 (1)
fragment_279.1275 0.002
  • CC1OC(OCCC(O)CC(=O)O)C(O)C(N)C1O (2)
fragment_381.1925 0.002
  • C=CC=CC=CC=CCCC1OC(O)(CC(O)CCO)CC(O)C1C(=O)O (2)
loss_158.1025 0.002
  • O=CNCCN1CCOCC1 (1)