Sinigrin (BioCAD00000017778)

plant natural products microbial natural products

Metabolite Card

Formula: C10H17NO9S2 (359.0345)
SMILES: OC[C@H]1O[C@@H](S\C(=N\OS(O)(=O)=O)CC=C)[C@H](O)[C@@H](O)[C@@H]1O

Synonyms [en]

Sinigrin; 2-Propenyl glucosinolate; Allyl glucosinolate; Myronic acid; Myronate; 1-S-[(1Z)-N-(sulfooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Sinigrin. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000017778). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Sinigrin is found in brassicas. Sinigrin is isolated from seeds of black mustard (Brassica nigra) and cabbage, as K salt. Sinigrin is present in many crucifers, major glucosinolate in Brussels sprouts (Brassica oleraceae).

Cytoplasm Extracellular
Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 3952-98-5
  • CAS Registry Number: 3952-98-5 534-69-0
  • CAS Registry Number: 534-69-0
  • PubChem: 2723733
  • PubChem: 5486549
  • PubChem: 6911854
  • PubChem: 9573169
  • ChEBI: ChEBI:181353
  • ChEBI: ChEBI:79317
  • ChEBI: ChEBI:9162
  • HMDB: HMDB0034070
  • KEGG: C08427
  • NCBI MeSH: sinigrin
  • Wikipedia: Sinigrin
  • RefMet: RM0136677
  • MoNA: OUF00461
  • MoNA: PR020005
  • MoNA: PR040062
  • MoNA: PR100648
  • MoNA: PR308761
  • MoNA: PS041107
  • MoNA: PS041108
  • MoNA: PS041110
  • MoNA: PS041111
  • MoNA: PS041112
  • MoNA: PT204110
  • MoNA: QE_Alk_neg000056
  • MoNA: QE_Alk_neg000057
  • MoNA: RIKENPlaSMA007170
  • MoNA: RIKENPlaSMA007174
  • MoNA: RIKENPlaSMA007178
  • MoNA: RIKENPlaSMA007182
  • MoNA: RIKENPlaSMA007186
  • MoNA: RIKENPlaSMA007189
  • MoNA: RIKENPlaSMA007193
  • MoNA: RIKENPlaSMA007197
  • MoNA: RIKENPlaSMA007201
  • MoNA: RIKENPlaSMA007205
  • MoNA: RIKENPlaSMA007209
  • MoNA: RIKENPlaSMA007213
  • MoNA: TOF_alkaloids_pos000195
  • Metlin: METLIN_66966
  • Coconut NaturalProduct: CNP0250275.2
  • Coconut NaturalProduct: CNP0250275.3
  • Coconut NaturalProduct: CNP0250275.6
  • Coconut NaturalProduct: CNP0250275.8
  • Coconut NaturalProduct: CNP0250275.9
  • Coconut NaturalProduct: CNP0276014.1
  • Coconut NaturalProduct: CNP0511106.1

Class / Ontology

Metabolic Network
ID EC Number Name
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Organism Source

Taxonomy Source

  1. Armoracia rusticana P. Gaertn. & al. [ncbi taxid: ]
  2. Brassica nigra (L.) W. D. J. Koch [ncbi taxid: ]
  3. Brassica oleraceae convar. acephala var. sabellica L. [ncbi taxid: ]
  4. Brassica oleraceae convar. capitata var. capitata L.f. alba [ncbi taxid: ]
  5. Brassica oleraceae convar. capitata var. capitata L.f. rubra [ncbi taxid: ]
  6. Brassica oleraceae convar. capitata var. sabauda L. [ncbi taxid: ]
  7. Brassica oleraceae convar. caulocarpha var. gongylodes L. [ncbi taxid: ]
  8. Brassica oleraceae convar. fruticosa var. gemmifera DC. [ncbi taxid: ]
  9. Capparis spinosa L. [ncbi taxid: ]
  10. Erysimum cheiranthoides L. [ncbi taxid: ]
  11. Erysimum cheiri (L.) Crantz [ncbi taxid: ]
  12. Erysimum hieraciifolium auct. [ncbi taxid: ]
  13. Erysimum ochroleucum (Schleich.) DC. [ncbi taxid: ]
  14. Erysimum repandum L. [ncbi taxid: ]
  15. Erysimum rhaeticum (Hornem.) DC. [ncbi taxid: ]
  16. Erysimum virgatum Roth [ncbi taxid: ]
  17. Iberis amara L. [ncbi taxid: ]
  18. Iberis sempervirens L. [ncbi taxid: ]
  19. Iberis umbellata L. [ncbi taxid: ]
  20. Isatis tinctoria L. [ncbi taxid: ]
  21. Lepidium sativum L. [ncbi taxid: ]
  22. Raphanus sativus L. [ncbi taxid: ]
  23. Sisymbrium austriacum Jacq. [ncbi taxid: ]
  24. Sisymbrium irio L. [ncbi taxid: ]
  25. Sisymbrium officinale (L.) Scop. [ncbi taxid: ]
  26. Sisymbrium strictissimum L. [ncbi taxid: ]
  27. Aesculus turbinata [ncbi taxid: 83375]
  28. Alnus alnobetula [ncbi taxid: 38784]
  29. Argyreia speciosa [ncbi taxid: ]
  30. Artocarpus styracifolius [ncbi taxid: 1009334]
  31. Brassica oleracea [ncbi taxid: 3712]
  32. Capsella bursa [ncbi taxid: ]
  33. Chondodendron toxicoferum [ncbi taxid: ]
  34. Citrus aurantium [ncbi taxid: ]
  35. Dacrydium intermedium [ncbi taxid: ]
  36. Dickeya chrysanthemi [ncbi taxid: 556]
  37. Dorstenia mannii [ncbi taxid: 194258]
  38. Forsythia giraldiana [ncbi taxid: 205689]
  39. Krameria parvifolia [ncbi taxid: ]
  40. Laurencia nidifica [ncbi taxid: 689809]
  41. Lecanora coniza [ncbi taxid: ]
  42. Phyllidiella pustulosa [ncbi taxid: 154616]
  43. Streptomyces griseolus [ncbi taxid: 1909]
  44. Swertia chinensis [ncbi taxid: 149060]
  45. Vernonia profuga [ncbi taxid: 434704]
  46. Brassica oleracea [ncbi taxid: 3712]
  47. Alliaria petiolata [ncbi taxid: 126270]
  48. Arabidopsis thaliana [ncbi taxid: 3702]
  49. Arabis kennedyae [ncbi taxid: 586523]
  50. Arabis laevigata [ncbi taxid: ]
  51. Arabis petiolaris [ncbi taxid: ]
  52. Armoracia lapathifolia [ncbi taxid: ]
  53. Barbarea intermedia [ncbi taxid: 264400]
  54. Barbarea stricta [ncbi taxid: 264399]
  55. Brassica hirta [ncbi taxid: ]
  56. Brassica juncea [ncbi taxid: 3707]
  57. Brassica nigra [ncbi taxid: 3710]
  58. Brassica oleracea [ncbi taxid: 3712]
  59. Brassica oleracea var. capitata [ncbi taxid: 3716]
  60. Brassica sprouts [ncbi taxid: ]
  61. Cakile arabica [ncbi taxid: 1078588]
  62. Cakile artica [ncbi taxid: ]
  63. Cakile constricta [ncbi taxid: 1078590]
  64. Cakile edentula [ncbi taxid: 349956]
  65. Cakile geniculata [ncbi taxid: 2730892]
  66. Cakile lanceolata [ncbi taxid: 555706]
  67. Cakile maritima [ncbi taxid: 220483]
  68. Capparis ovata [ncbi taxid: ]
  69. Capparis spinosa [ncbi taxid: 65558]
  70. Capsella bursa-pastoris [ncbi taxid: 3719]
  71. Chorispora tenella [ncbi taxid: 358662]
  72. Coincya longirostra [ncbi taxid: 308270]
  73. Conringia planisiliqua [ncbi taxid: 311912]
  74. Crambe maritima [ncbi taxid: 71339]
  75. Crucihimalaya wallichii [ncbi taxid: 78192]
  76. Descurainia appendiculata [ncbi taxid: 983596]
  77. Descurainia pinnata [ncbi taxid: 110556]
  78. Descurainia richardsonii [ncbi taxid: ]
  79. Descurainia sophia [ncbi taxid: 89411]
  80. Diplotaxis erucoides [ncbi taxid: 3732]
  81. Diplotaxis muralis [ncbi taxid: 360583]
  82. Diplotaxis viminea [ncbi taxid: 308284]
  83. Dithyrea californica [ncbi taxid: 980117]
  84. Dithyrea wislizenii [ncbi taxid: ]
  85. Draba nemorosa [ncbi taxid: 171822]
  86. Erucastrum gallicum [ncbi taxid: 180538]
  87. Erucastrum laevigatum [ncbi taxid: 109154]
  88. Erysimum asperum [ncbi taxid: 115931]
  89. Erysimum capitatum [ncbi taxid: 220481]
  90. Erysimum hieracifolium [ncbi taxid: ]
  91. Erysimum odoratum [ncbi taxid: 1137569]
  92. Farsetia aegyptia [ncbi taxid: 359842]
  93. Farsetia clypeata [ncbi taxid: ]
  94. Hirschfeldia incana [ncbi taxid: 71354]
  95. Iberis umbellata [ncbi taxid: 226049]
  96. Isatis indigotica [ncbi taxid: 3242077]
  97. Lepidium draba [ncbi taxid: 153317]
  98. Lepidium sativum [ncbi taxid: 33125]
  99. Lesquerella ludoviciana [ncbi taxid: ]
  100. Moricandia arvensis [ncbi taxid: 180540]
  101. Patrinia villosa [ncbi taxid: 183944]
  102. Peltaria alliaceae [ncbi taxid: ]
  103. Pringlea antiscorbutica [ncbi taxid: 203624]
  104. Raphanus raphanistrum [ncbi taxid: 109996]
  105. Raphanus sativus [ncbi taxid: 3726]
  106. Rorippa hilariana [ncbi taxid: 2948741]
  107. Schouwia purpurea [ncbi taxid: 127615]
  108. Sinapis arvensis [ncbi taxid: ]
  109. Sisymbrium alliaria [ncbi taxid: ]
  110. Sisymbrium loesilii [ncbi taxid: ]
  111. Sisymbrium officinale [ncbi taxid: 203582]
  112. Sisymbrium sophia [ncbi taxid: ]
  113. Thelypodium ambiguum [ncbi taxid: ]
  114. Thelypodium brachycarpum [ncbi taxid: ]
  115. Thelypodium crispum [ncbi taxid: 536432]
  116. Thelypodium eucosmum [ncbi taxid: ]
  117. Thelypodium laciniatum [ncbi taxid: 359899]
  118. Thelypodium laxiflorum [ncbi taxid: ]
  119. Thelypodium paniculatum [ncbi taxid: ]
  120. Thelypodium rollinsii [ncbi taxid: 536434]
  121. Thlaspi arvense [ncbi taxid: 13288]
  122. Turritis glabra [ncbi taxid: 63678]
  123. Wasabi japonica [ncbi taxid: ]

Pathway Synthetic

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