(E)-2-Hexenal (BioCAD00000000748)

blood feces saliva

Metabolite Card

Formula: C6H10O (98.0732)
SMILES: CCC\C=C\C=O

Synonyms [en]

(E)-2-HEXENAL; trans-2-hexenal; 2-hexenal; (2e)-hexenal; 3-propyl-acrolein; (E)-Hex-2-enal

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

(E)-2-Hexenal. 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: BioCAD00000000748). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

2-Hexenal (CAS: 505-57-7), also known as 2-hexenaldehyde or 3-propylacrolein, belongs to the class of organic compounds known as medium-chain aldehydes. These are aldehydes with a chain length containing between 6 and 12 carbon atoms. Thus, 2-hexenal is considered to be a fatty aldehyde lipid molecule. Outside of the human body, 2-hexenal is found, on average, in the highest concentration within a few different foods, such as corn, tea, and bilberries. 2-Hexenal has also been detected, but not quantified in, several different foods, such as common wheat, ginkgo nuts, spearmints, sunflowers, and watermelons. This could make 2-hexenal a potential biomarker for the consumption of these foods. (E)-2-Hexenal is found in allspice. It is used in perfumery and flavouring. (E)-2-Hexenal has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821).

Cytoplasm Extracellular
Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 1335-39-3
  • CAS Registry Number: 505-57-7
  • CAS Registry Number: 6728-26-3
  • CAS Registry Number: 85761-70-2
  • PubChem: 5281168
  • ChEBI: ChEBI:19591
  • ChEBI: ChEBI:28913
  • HMDB: HMDB0031496
  • HMDB: HMDB0253154
  • LipidMaps: LMFA06000002
  • KEGG: C08497
  • BioCyc: TRANS-2-HEXENAL
  • NCBI MeSH: 2-hexenal
  • Wikipedia: Cis-3-Hexenal
  • RefMet: RM0140014
  • MoNA: FiehnHILIC000047
  • MoNA: JP008203
  • MoNA: JP008674
  • MoNA: JP008764
  • MoNA: PR100058
  • MoNA: PT101020
  • Metlin: METLIN_36524
  • Coconut NaturalProduct: CNP0263913.0

Class / Ontology

Metabolic Network
ID EC Number Name
Rhea:RHEA:50777 hexanal + NADP+ => (E)-hex-2-enal + NADPH + H+
Rhea:RHEA:50778 (E)-hex-2-enal + NADPH + H+ => hexanal + NADP+
Rhea:RHEA:50779 hexanal + NADP+ <=> (E)-hex-2-enal + NADPH + H+
Rhea:RHEA:58425 (E)-hex-2-en-1-ol + NADP+ => (E)-hex-2-enal + NADPH + H+
Rhea:RHEA:58426 (E)-hex-2-enal + NADPH + H+ => (E)-hex-2-en-1-ol + NADP+
Rhea:RHEA:58427 (E)-hex-2-en-1-ol + NADP+ <=> (E)-hex-2-enal + NADPH + H+
Rhea:RHEA:60989 (E)-hex-2-en-1-ol + NAD+ => (E)-hex-2-enal + NADH + H+
Rhea:RHEA:60990 (E)-hex-2-enal + NADH + H+ => (E)-hex-2-en-1-ol + NAD+
Rhea:RHEA:60991 (E)-hex-2-en-1-ol + NAD+ <=> (E)-hex-2-enal + NADH + H+
Rhea:RHEA:77420 (E)-hex-2-enal + hydrogen cyanide => (2S,3E)-2-hydroxyhept-3-enenitrile
Rhea:RHEA:77421 (2S,3E)-2-hydroxyhept-3-enenitrile => (E)-hex-2-enal + hydrogen cyanide
Rhea:RHEA:77422 (E)-hex-2-enal + hydrogen cyanide <=> (2S,3E)-2-hydroxyhept-3-enenitrile
BioCyc:RXN-1348 TRANS-2-HEXENOL + NAD<=>TRANS-2-HEXENAL + NADH + PROTON
BioCyc:RXN-1346 CIS-3-HEXENAL --> TRANS-2-HEXENAL
BioCyc:RXN-12299 1.1.1.2 TRANS-2-HEXENAL + NADPH + PROTON --> TRANS-2-HEXENOL + NADP
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Organism Source

Taxonomy Source

  1. Acacia mearnsii [ncbi taxid: 139012]
  2. Aconitum kamtschaticum [ncbi taxid: ]
  3. Aconitum vilmorinianum [ncbi taxid: 226101]
  4. Actinidia kolomikta [ncbi taxid: 165710]
  5. Adrisa magna [ncbi taxid: 1289575]
  6. Aloe africana [ncbi taxid: 1080010]
  7. Aloe arborescens var. natalensis [ncbi taxid: 45386]
  8. Aloe ferox [ncbi taxid: 117798]
  9. Aloe spicata [ncbi taxid: 992642]
  10. Aloe vera [ncbi taxid: 34199]
  11. Amaranthus retroflexus [ncbi taxid: 124763]
  12. Amyris marshii [ncbi taxid: ]
  13. Angelica acutiloba [ncbi taxid: 55605]
  14. Angelica gigas [ncbi taxid: 85712]
  15. Angelica sinensis [ncbi taxid: 165353]
  16. Arachis hypogaea [ncbi taxid: 3818]
  17. Artemisia annua L. [ncbi taxid: ]
  18. Artemisia apiacea [ncbi taxid: 262982]
  19. Artemisia argyi [ncbi taxid: 259893]
  20. Artemisia capillaris [ncbi taxid: 265783]
  21. Artemisia montana [ncbi taxid: 669134]
  22. Artemisia princeps [ncbi taxid: 223870]
  23. Atractylodes lancea [ncbi taxid: 41486]
  24. Atractylodes macrocephala [ncbi taxid: 265785]
  25. Boronella koniambiensis [ncbi taxid: ]
  26. Brachyspira hyodysenteriae [ncbi taxid: 159]
  27. Brassica hirta [ncbi taxid: ]
  28. Brevibacillus laterosporus [ncbi taxid: 1465]
  29. Camellia sinensis [ncbi taxid: 4442]
  30. Canarium strictum [ncbi taxid: 300212]
  31. Capillipedium parviflorum [ncbi taxid: 79829]
  32. Capsicum annuum [ncbi taxid: 4072]
  33. Cedrus deodara [ncbi taxid: 3322]
  34. Chaenomeles sinensis [ncbi taxid: ]
  35. Citrullus lanatus [ncbi taxid: 3654]
  36. Citrus limonia [ncbi taxid: 171249]
  37. Citrus sinensis [ncbi taxid: 2711]
  38. Citrus sinensis L. [ncbi taxid: ]
  39. Coelogorgia palmosa [ncbi taxid: 86530]
  40. Coreopsis grandiflora [ncbi taxid: 13449]
  41. Crocus sativus [ncbi taxid: 82528]
  42. Dendrobium fimbriatum var. oculatum [ncbi taxid: 2821054]
  43. Dianthus caryophyllus L. [ncbi taxid: ]
  44. Dipteronia dyeriana [ncbi taxid: 168575]
  45. Dodonaea polyandra [ncbi taxid: 569829]
  46. Ectropis bicolor [ncbi taxid: ]
  47. Elsholtzia ciliata [ncbi taxid: 662901]
  48. Erinaceus europaeus [ncbi taxid: 9365]
  49. Esox saurus [ncbi taxid: ]
  50. Eucalyptus anceps [ncbi taxid: ]
  51. Eucheuma muricatum [ncbi taxid: ]
  52. Ficus carica [ncbi taxid: 3494]
  53. Flos mume [ncbi taxid: ]
  54. Foeniculum vulgare [ncbi taxid: ]
  55. Fragaria x ananassa [ncbi taxid: 3747]
  56. Garcinia macrophylla [ncbi taxid: 469955]
  57. Gouania microcarpa [ncbi taxid: 2501689]
  58. Gymnanthemum amygdalinum [ncbi taxid: 82755]
  59. Homo sapiens [ncbi taxid: 9606]
  60. Humulus lupulus [ncbi taxid: 3486]
  61. Hypericum perforatum [ncbi taxid: 65561]
  62. Juniperus communis [ncbi taxid: 58039]
  63. Leucopaxillus giganteus [ncbi taxid: 1167592]
  64. Lobelia chinensis [ncbi taxid: 368926]
  65. Lonicera japonica [ncbi taxid: 105884]
  66. Lycopersicon esculentum [ncbi taxid: ]
  67. Lycopersicon esculentum Mill. [ncbi taxid: ]
  68. Maytenus loeseneri [ncbi taxid: ]
  69. Maytenus serrata [ncbi taxid: 1696185]
  70. Mentha arvensis [ncbi taxid: 292239]
  71. Mentha canadensis [ncbi taxid: 294733]
  72. Monomorium floricola [ncbi taxid: 612295]
  73. Mosla chinensis [ncbi taxid: 516065]
  74. Murraya kwangsiensis [ncbi taxid: ]
  75. Nelumbo nucifera [ncbi taxid: 4432]
  76. Ocotea sinuata [ncbi taxid: 1930897]
  77. Odontites rubra [ncbi taxid: ]
  78. Olea europaea [ncbi taxid: 4146]
  79. Ongokea klaineana [ncbi taxid: ]
  80. Ophioparma ventosa [ncbi taxid: 145978]
  81. Ophiorrhiza blumeana [ncbi taxid: ]
  82. Perilla frutescens [ncbi taxid: 48386]
  83. Persicaria amphibia [ncbi taxid: 254780]
  84. Peucedanum palustre [ncbi taxid: 1572681]
  85. Phalaenopsis aphrodite [ncbi taxid: 212056]
  86. Physalis solanaceus [ncbi taxid: ]
  87. Plectranthus mollis [ncbi taxid: ]
  88. Podocarpus salignus [ncbi taxid: 120631]
  89. Prosopis ruscifolia [ncbi taxid: ]
  90. Prunus armeniaca [ncbi taxid: 36596]
  91. Prunus armeniaca l. var. ansu maxim. [ncbi taxid: ]
  92. Prunus armeniaca var. ansu [ncbi taxid: 170481]
  93. Prunus mandshurica [ncbi taxid: 122122]
  94. Prunus sibirica [ncbi taxid: 151440]
  95. Psychotria bahiensis [ncbi taxid: 96277]
  96. Punica granatum [ncbi taxid: 22663]
  97. Rhodomicrobium vannielii [ncbi taxid: 1069]
  98. Ruellia tuberosa [ncbi taxid: 441035]
  99. Rusavskia elegans [ncbi taxid: 88742]
  100. Saposhnikovia divaricata [ncbi taxid: 203717]
  101. Schistostephium rotundifolium [ncbi taxid: ]
  102. Scutellaria barbata [ncbi taxid: 396367]
  103. Sideritis syriaca [ncbi taxid: 155265]
  104. Siphocampylus verticillatus [ncbi taxid: ]
  105. Sraitia grosvenorii [ncbi taxid: ]
  106. Streptomyces fervens [ncbi taxid: ]
  107. Streptomyces lavendulae [ncbi taxid: 1914]
  108. Syzygium aqueum [ncbi taxid: 219865]
  109. Talaromyces coalescens [ncbi taxid: 1131645]
  110. Teucrium polium subsp. polium [ncbi taxid: 1117666]
  111. Teucrium scorodonia L. subsp. baeticum [ncbi taxid: ]
  112. Thea sinensis [ncbi taxid: ]
  113. Trifolium subterraneum [ncbi taxid: 3900]
  114. Usnea florida [ncbi taxid: 111620]
  115. Vaccinium myrtillus [ncbi taxid: 180763]
  116. Vepris pilosa [ncbi taxid: ]
  117. Veratrum stenophyllum [ncbi taxid: 203102]
  118. Viburnum chingii [ncbi taxid: 1127642]
  119. Zanthoxylum chiriquinum [ncbi taxid: ]
  120. Zea mays [ncbi taxid: 4577]

Pathway Synthetic

pathway id name
BioCyc:ARA_PWY-6786 detoxification of reactive carbonyls in chloroplasts
BioCyc:ARA_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
BioCyc:META_PWY-6786 detoxification of reactive carbonyls in chloroplasts
BioCyc:META_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
BioCyc:META_PWY-5433 superpathway of lipoxygenase
PlantCyc:SORGHUMBICOLOR_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:SUGARBEET_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:SVIRIDIS_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:AMBORELLA_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:TOMATO_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:ARA_PWY-6786 detoxification of reactive carbonyls in chloroplasts
PlantCyc:TPARVULA_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:ASPARAGUS_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:WHEATA_PWY-6786 detoxification of reactive carbonyls in chloroplasts
PlantCyc:WHEATD_PWY-6786 detoxification of reactive carbonyls in chloroplasts
PlantCyc:BOLERACEA_CAPITATA_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:BRAPA_FPSC_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:CACUMINATA_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
PlantCyc:CACUMINATA_PWY-6786 detoxification of reactive carbonyls in chloroplasts
PlantCyc:CARROT_PWY-5410 traumatin and (Z)-3-hexen-1-yl acetate biosynthesis
View All Pathways