Carotenoids obi
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  Frequency distribution of Carotenoid DB fingerprints

  Categories of chemical modificationsNumber of fingerprintsNumber of entries
  Hydroxylation 1312720
  Saturation 920568
  Cyclization of end groups 884884
  Ketolation 525394
  Desaturation 423357
  Stereoisomer (R,S) 408408
  Apo 360296
  Epoxidation 197173
  Esterification 148113
  Cis/trans isomerization 137115
  Aldehyde addition 112101
  Glycosidation 11295
  Carbonylation 10383
  Alkoxylation 9875
  Isoprene polymerization 7945
  Nor 6238
  Complex polymerization 3737
  Olide 1919
  Sulfation 1917
  Seco 1713
  Retro 1313
  Cycloaddition 99
  Geranylgeranylation 11

   stats_20170107



    Hydroxylation   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupC1C2C3C4C5C6C7C8C9C10C11C12C13C14C15C16C17C18C19C20
    Hydroxybeta168561601033111105----81-1201
    Hydroxygamma--5-15--------------
    Hydroxyepsilon-21051326--1-1----1-14-
    Hydroxypsi1382634652-12-2----53184
    Hydroxyphi--3-----------------
    Hydroxychi---------------1----
    Hydroxykappa--33----13--------3---
    HydroxyNo end groups attached (apo)-----1-6212-2--------








    Saturation   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    7,8+HbetaC7,865
    11,12+HbetaC11,123
    1,2+HbetaC1,23
    5,8+HbetaC5,849
    5,6+HbetaC5,6233
    3,4+HbetaC3,41
    4,5+HbetaC4,51
    6,7+HbetaC6,72
    5,6+H, 5,6-EpoxybetaC5,6, 5,62
    13,14+HbetaC13,141
    9,10+HbetaC9,108
    7,8+HgammaC7,84
    9,10+HgammaC9,101
    4,5+HepsilonC4,56
    7,8+HepsilonC7,829
    5,6+HepsilonC5,62
    9,10+HepsilonC9,1011
    7,8+HpsiC7,8130
    11,12+HpsiC11,1244
    1,2+HpsiC1,2278
    5,6+HpsiC5,68
    15,15+HpsiC15,153
    9,10+HpsiC9,101
    4,5+HepsilonC4,512
    7,8+HepsilonC7,858
    5,6+HepsilonC5,64
    9,10+HepsilonC9,1022
    3,4+HpsiC3,46
    7,8+HkappaC7,82
    7,8+HNo end groups attached (apo)C7,812
    5,6+HNo end groups attached (apo)C5,64
    9,10+HNo end groups attached (apo)C9,104
    11,12+HNo end groups attached (apo)C11,127
    13,14+HNo end groups attached (apo)C13,141




    Cyclization of end groups   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    betagammaepsilonpsiphichikappa
    beta321
    gamma44
    epsilon91432
    psi126413222
    phi600129
    chi910332
    kappa36000023


    betagammaepsilonpsiphichikappa-
    -1581531600233



    Ketolation   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupC1C2C3C4C5C6C7C8C9C10C11C12C13C14C15C16C17C18C19C20
    Ketobeta-14262011816330201-13-1----1
    Ketogamma------14------------
    Ketoepsilon-148--4145---2-------
    Ketopsi316961828232---4---1---
    Ketokappa--12--46----------1---
    KetoNo end groups attached (apo)-----5182-----------








    Desaturation   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    3,4--HbetaC3,426
    7,8--HbetaC7,882
    2,3--HbetaC2,321
    4,5--HbetaC4,511
    6,7--HbetaC6,763
    8,9--HbetaC8,95
    3,4--HgammaC3,44
    8,9--HgammaC8,91
    2,3--HepsilonC2,36
    6,7--HepsilonC6,76
    7,8--HepsilonC7,82
    8,9--HepsilonC8,93
    3,4--HpsiC3,4179
    1,16--HpsiC1,167
    4,5--HpsiC4,51
    7,8--HphiC7,82
    7,8--HchiC7,81
    8,9--HNo end groups attached (apo)C8,92
    10,11--HNo end groups attached (apo)C10,111




    Stereoisomer (R,S)   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    3RbetaC3102
    4RbetaC414
    4SbetaC410
    3SbetaC3203
    5RbetaC5143
    6SbetaC694
    3'RbetaC3'72
    3'SbetaC3'97
    2RbetaC227
    2'SbetaC2'2
    2SbetaC22
    2'RbetaC2'15
    5SbetaC519
    4'SbetaC4'9
    5'SbetaC5'7
    6'SbetaC6'30
    6RbetaC647
    5S'betaC5'1
    4'RbetaC4'8
    5'RbetaC5'68
    6'RbetaC6'31
    8SbetaC86
    8'RSbetaC8'5
    8RSbetaC88
    8RbetaC85
    8'RbetaC8'5
    8'SbetaC8'6
    5‘SbetaC5‘1
    6‘SbetaC6‘1
    5-betaC5-1
    6-betaC6-2
    9SbetaC91
    7RbetaC71
    6'RgammaC6'4
    3'SgammaC3'1
    6'SgammaC6'1
    3SgammaC33
    6RgammaC66
    3RgammaC31
    5SgammaC51
    2RgammaC23
    2'RgammaC2'3
    6'RepsilonC6'61
    3'RepsilonC3'47
    6'SepsilonC6'24
    3'SepsilonC3'17
    6'-epsilonC6'-1
    6RepsilonC629
    6SepsilonC612
    3SepsilonC34
    3RepsilonC314
    4'SepsilonC4'1
    5'RepsilonC5'1
    9RepsilonC93
    9RSepsilonC93
    9SepsilonC91
    2RepsilonC27
    2'RepsilonC2'4
    2SpsiC215
    5RpsiC52
    6RpsiC65
    5SpsiC53
    2RpsiC25
    2'RpsiC2'6
    2'SpsiC2'29
    3'RpsiC3'2
    5'RpsiC5'2
    6'SpsiC6'2
    3'-psiC3'-2
    2'-psiC2'-1
    4'-psiC4'-1
    5'RkappaC5'22
    3'SkappaC3'15
    1'RkappaC1'7
    5'SkappaC5'1
    3'RkappaC3'2
    3SkappaC34
    5RkappaC54




    Apo   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    4-apopsiC467
    8-apopsiC87
    2-apopsiC25
    5-apopsiC51
    12-apopsiC121
    6-apoNo end groups attached (apo)C625
    8-apoNo end groups attached (apo)C859
    10-apoNo end groups attached (apo)C1047
    12-apoNo end groups attached (apo)C1217
    15-apoNo end groups attached (apo)C1529
    9-apoNo end groups attached (apo)C957
    7-apoNo end groups attached (apo)C716
    14-apoNo end groups attached (apo)C145
    11-apoNo end groups attached (apo)C1112
    13-apoNo end groups attached (apo)C136




    Epoxidation   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    5,8-EpoxybetaC5,854
    5,6-EpoxybetaC5,6105
    3,6-EpoxybetaC3,613
    5,6+H, 5,6-EpoxybetaC5,6, 5,61
    17,5-EpoxybetaC17,54
    6,9-EpoxybetaC6,91
    1,7-EpoxybetaC1,71
    2,5-EpoxybetaC2,51
    3,6-EpoxyepsilonC3,61
    4,5-EpoxyepsilonC4,51
    16,5-EpoxyepsilonC16,52
    1,2-EpoxypsiC1,29
    5,6-EpoxypsiC5,61
    3,6-EpoxypsiC3,62
    3,4-EpoxypsiC3,41




    Esterification   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    3-EthanoyloxybetaC335
    3-DecanoyloxybetaC31
    3-DodecanoyloxybetaC34
    3-(9-cis-Octadecanoyloxy)betaC31
    3-TetradecanoyloxybetaC37
    3-(9-cis-Hexadecanoyloxy)betaC31
    3-HexadecanoyloxybetaC36
    3-Hexadeca-esterbetaC32
    19-HexanoyloxyC191
    19-OctanoyloxybetaC192
    19-DecanoyloxybetaC195
    3-esterbetaC311
    19-HexanoyloxybetaC194
    19-ButanoyloxybetaC192
    19-DodecanoyloxybetaC195
    19-EthanoyloxybetaC192
    3-MethanoyloxybetaC31
    15-HexadecanoyloxybetaC152
    3-HexadecanoyloxyepsilonC32
    3-EthanoyloxyepsilonC31
    11-COO-b-GlcepsilonC113
    5-b-Glc-esterpsiC52
    4-esterpsiC42
    4-COO-b-GlcpsiC410
    4-COO-b-Glc-tetranoylpsiC42
    4-COO-b-Glc-esterpsiC44
    4-COO-b-Glc-methyltetradecanoyloxypsiC42
    1-b-Glc-esterpsiC122
    1-b-Glc-myc-esterpsiC14
    1-HexadecanoyloxypsiC11
    2-isoprene-peroxypsiC22
    3-TetrahydropyranosyloxyphiC32
    3-EthanoyloxyphiC33
    19-EthanoyloxyNo end groups attached (apo)C192
    8-COO-Glc-Glc-GlcNo end groups attached (apo)C86
    8-COO-Glc-GlcNo end groups attached (apo)C814
    8-COO-Glc-XanthoneNo end groups attached (apo)C82
    8-COO-GlcNo end groups attached (apo)C82
    6-ester-geranylgeranylNo end groups attached (apo)C61
    8-COO-b-GlcNo end groups attached (apo)C810




    Cis/trans isomerization   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    15ZbetaC154
    9ZbetaC923
    13ZbetaC135
    all-Ebeta-9
    2EbetaC21
    3EbetaC31
    11ZbetaC114
    7EbetaC71
    9ZepsilonC99
    13ZepsilonC131
    all-Eepsilon-2
    7EepsilonC72
    11EepsilonC112
    9EepsilonC91
    poly-Zpsi-3
    15ZpsiC158
    all-Epsi-3
    9ZpsiC916
    13ZpsiC1310
    7ZpsiC74
    13ZphiC131
    15ZphiC151
    9ZphiC91
    7ZphiC74
    all-Echi-1
    15ZNo end groups attached (apo)C151
    13ZNo end groups attached (apo)C131
    9ZNo end groups attached (apo)C97
    all-ENo end groups attached (apo)-2




    Aldehyde addition   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    20-albetaC201
    13-albetaC131
    15-albetaC156
    19-albetaC191
    7-albetaC75
    11-albetaC113
    8-albetaC82
    19-alepsilonC192
    15-alepsilonC152
    11-alepsilonC111
    7-alepsilonC71
    4-alpsiC48
    16-alpsiC165
    20-alpsiC2010
    19-alpsiC192
    2-alpsiC24
    18-alpsiC181
    15-alpsiC152
    17-alkappaC171
    16-alkappaC161
    6-alNo end groups attached (apo)C63
    8-alNo end groups attached (apo)C818
    10-alNo end groups attached (apo)C1013
    12-alNo end groups attached (apo)C1212
    14-alNo end groups attached (apo)C145
    15-alNo end groups attached (apo)C151
    9-alNo end groups attached (apo)C91




    Glycosidation   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    3-b-GlcbetaC38
    3-a-LRhabetaC310
    3-b-Glc-8-methylnonanoylbetaC31
    3-b-Glc-10-methylundecanoylbetaC31
    3-b-Glc-6-O-11-methyldodecanoylbetaC34
    3-b-Glc-12-methyltridecanoylbetaC31
    3-b-Glc-6-O-13-methyltetradecanoylbetaC34
    3-b-Glc-6-O-15-methylhexadecanoylbetaC31
    3-b-LacbetaC31
    15-b-Glc-OHbetaC151
    5-b-GlcbetaC52
    9-Glc-GlcepsilonC91
    9-GlcepsilonC91
    4-b-GlcpsiC41
    1-ManpsiC13
    5-b-Glc-esterpsiC51
    1-b-GlcpsiC122
    2-a-LRhapsiC25
    1-b-Glc-esterpsiC111
    2-a-ChipsiC23
    2-a-LfucpsiC27
    2-Pen-CH3psiC23
    1-a-LRhapsiC12
    1-GlcpsiC14
    2-a-Lfuc-di-CH3psiC22
    2-a-PenpsiC21
    2-a-Pen-CH3psiC21
    2-b-GlcpsiC21
    2-a-Hex-CH3psiC21
    2-a-HexpsiC21
    2-a-Hex-di-CH3psiC21
    1-b-Glc-myc-esterpsiC12
    1-b-Glc-hexadecanoatepsiC12
    1-b-Glc-dodecanoatepsiC11
    3-GlcpsiC31




    Carbonylation   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    2-COOHbetaC21
    15-COOHbetaC158
    19-COOCH3betaC191
    19-COOHbetaC191
    11-COOHbetaC111
    11-COO-b-GlcepsilonC111
    11-COOHepsilonC114
    8-COOCH3psiC85
    4-COOHpsiC412
    4-COOCH3psiC42
    4-COO-b-GlcpsiC45
    4-COO-b-Glc-tetranoylpsiC41
    4-COO-b-Glc-esterpsiC42
    4-COO-b-Glc-methyltetradecanoyloxypsiC41
    16-COOHpsiC161
    16-COOCH3psiC161
    12-COOCH3psiC121
    16-COOCH3chiC161
    18-COOHchiC182
    17-COOHkappaC172
    10-COOHNo end groups attached (apo)C106
    7-COOHNo end groups attached (apo)C72
    8-COOCH3No end groups attached (apo)C83
    8-COOHNo end groups attached (apo)C87
    12-COOHNo end groups attached (apo)C122
    8-COO-Glc-Glc-GlcNo end groups attached (apo)C83
    8-COO-Glc-GlcNo end groups attached (apo)C87
    8-COO-Glc-XanthoneNo end groups attached (apo)C81
    8-COO-GlcNo end groups attached (apo)C81
    8-COO-b-GlcNo end groups attached (apo)C85
    6-COOCH3No end groups attached (apo)C69
    6-COOHNo end groups attached (apo)C63






    Isoprene polymerization   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    2-isoprene-4-OHbetaC26
    2-isoprene-4-GlcbetaC22
    2-isoprene-4-OHgammaC23
    2-isoprene-4-GlcgammaC23
    2-isopreneepsilonC25
    2-isoprene-4-OHepsilonC211
    2-isoprene-4-GlcepsilonC24
    2-Reversed-isoprene-4-OHepsilonC22
    2-isoprenepsiC219
    2-isoprene-4-OHpsiC23
    2-isoprene-3-OHpsiC214
    16-isoprenepsiC161
    16-isoprene-3-OHpsiC161
    2-isoprene-peroxypsiC21
    2-isoprene-3-GlcpsiC23
    2-isoprene-EpoxypsiC21




    Nor   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupC1C2C3C4C5C6C7C8C9C10C11C12C13C14C15C16C17C18C19C20
    norbeta-12---------99-----710
    norgamma------------------1-
    norepsilon-----------11-----31
    norpsi-----------22--4--62
    norNo end groups attached (apo)-----------------4--








    Complex polymerization   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    Complex_derivative2Abeta-1
    Complex_derivative2A1beta-1
    Complex_derivative2A2beta-1
    Complex_derivative2A3beta-1
    Complex_derivative2A4beta-1
    Complex_derivative2Bbeta-1
    Complex_derivative2B1beta-1
    Complex_derivative2B2beta-1
    Complex_derivative2Cbeta-1
    Complex_derivative2C1beta-1
    Complex_derivative2C2beta-1
    Complex_derivative3Abeta-1
    Complex_derivative3Bbeta-1
    Complex_derivative5cbeta-1
    Complex_derivative5abeta-1
    Complex_derivative5bbeta-1
    Complex_derivative4abeta-1
    Complex_derivative4bbeta-1
    Complex_derivative4cbeta-1
    Complex_derivative3beta-1
    Complex_derivative5dbeta-1
    Complex_derivative5ebeta-1
    Complex_derivative1Apsi-1
    Complex_derivative1Bpsi-1
    Complex_derivative1Cpsi-1
    Complex_derivative1Dpsi-1
    Complex_derivative1Epsi-1
    Complex_derivative1Fpsi-1
    Complex_derivative1Gpsi-1
    Complex_derivative1Ipsi-1
    Complex_derivative1Kpsi-1
    Complex_derivative1Lpsi-1
    Complex_derivative1Dapsi-1
    Complex_derivative1Gapsi-1
    Complex_derivative1Jpsi-1
    Complex_derivative1Hpsi-1
    Complex_derivative1Hc153psi-1










    Retro   Please click here to see the list of entries.

    carotenoid_structure_with_c_numbering

    Chemical modificationEnd groupPositionFrequency
    4,5'-retrobetaC4,5'7
    8,7'-retrobetaC8,7'1
    6,5'-retrobetaC6,5'1
    4',12'-retrobetaC4',12'1
    4,5'-retropsiC4,5'2
    10,9'-retroNo end groups attached (apo)C10,9'1







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