Np mrd loader

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Record Information
Version1.0
Created at2005-11-16 15:48:42 UTC
Updated at2024-05-09 03:26:58 UTC
NP-MRD IDNP0001225
Secondary Accession NumbersNone
Natural Product Identification
Common NameDodecanoic acid
DescriptionLauric acid, or dodecanoic acid is the main fatty acid in coconut oil and in palm kernel oil, and is believed to have antimicrobial properties. It is a white, powdery solid with a faint odor of bay oil. Lauric acid, although slightly irritating to mucous membranes, has a very low toxicity and so is used in many soaps and shampoos.
Structure
Thumb
Synonyms
ValueSource
1-Undecanecarboxylic acidChEBI
ABLChEBI
C12 Fatty acidChEBI
C12:0ChEBI
CH3-[CH2]10-COOHChEBI
Coconut oil fatty acidsChEBI
DAOChEBI
Dodecoic acidChEBI
DodecylcarboxylateChEBI
Dodecylic acidChEBI
Duodecyclic acidChEBI
Duodecylic acidChEBI
Lauric acidChEBI
LaurinsaeureChEBI
Laurostearic acidChEBI
N-Dodecanoic acidChEBI
Undecane-1-carboxylic acidChEBI
Vulvic acidChEBI
DodecanoateKegg
1-UndecanecarboxylateGenerator
DodecoateGenerator
Dodecylcarboxylic acidGenerator
DodecylateGenerator
DuodecyclateGenerator
DuodecylateGenerator
LaateGenerator
Laic acidGenerator
LaurostearateGenerator
N-DodecanoateGenerator
Undecane-1-carboxylateGenerator
VulvateGenerator
Aliphat no. 4HMDB
Edenor C 1298-100HMDB
Emery 651HMDB
Hystrene 9512HMDB
Kortacid 1299HMDB
LaurateHMDB
Lunac L 70HMDB
Lunac L 98HMDB
Neo-fat 12HMDB
Neo-fat 12-43HMDB
Nissan naa 122HMDB
Philacid 1200HMDB
Prifac 2920HMDB
Univol u 314HMDB
1-Dodecanoic acidHMDB
FA(12:0)HMDB
Dodecanoic acidPhytoBank
Chemical FormulaC12H24O2
Average Mass200.3178 Da
Monoisotopic Mass200.17763 Da
IUPAC Namedodecanoic acid
Traditional Namelauric acid
CAS Registry Number143-07-7
SMILES
CCCCCCCCCCCC(O)=O
InChI Identifier
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChI KeyPOULHZVOKOAJMA-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D_DEPT NMR13C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)bgnzk@missouri.eduMU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2024-05-09View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)bgnzk@missouri.eduMU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2023-09-21View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)bgnzk@missouri.eduMU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2023-09-21View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)bgnzk@missouri.eduMU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2023-09-21View Spectrum
1D NMR[13C, ] NMR Spectrum (2D, 201 MHz, CD3OD, experimental)bgnzk@missouri.eduMU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2023-09-21View Spectrum
1D NMR[1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)bgnzk@missouri.eduMU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2023-09-21View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CD3OD, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600.133705802, CD3OD, simulated)bgnzk@missouri.eduSumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2024-05-09View Spectrum
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Abramis bramaFooDB
Acanthophora spiciferaLOTUS Database
AcipenseridaeFooDB
Actinidia chinensisFooDB
Aesculus hippocastanumLOTUS Database
Agaricus bisporusFooDB
AgaveFooDB
Agave decipiensLOTUS Database
Ailuropoda melanoleucaLOTUS Database
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloe vera var.chinensisKNApSAcK Database
Aloysia triphyllaFooDB
Alpinia latilabrisLOTUS Database
Althaea officinalisLOTUS Database
AmaranthusFooDB
Amelanchier alnifoliaFooDB
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anarhichas lupusFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
AnguilliformesFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anser anserFooDB
Anthemis aciphyllaLOTUS Database
Anthemis aciphylla BOISS.var.discoidea BOISSKNApSAcK Database
Anthriscus cerefoliumFooDB
Apis ceranaLOTUS Database
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arabidopsis thalianaKNApSAcK Database
Arachis hypogaeaFooDB
Arctium lappaFooDB
Areca catechuKNApSAcK Database
Arisaema tortuosumLOTUS Database
Armoracia rusticanaFooDB
Arnica montanaLOTUS Database
Artemisia dracunculusFooDB
Artemisia monospermaLOTUS Database
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
AstacideaFooDB
Astragalus hamosusLOTUS Database
Attalea colendaLOTUS Database
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Azima tetracanthaLOTUS Database
Basella albaFooDB
Bellis perennisLOTUS Database
Belone beloneFooDB
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Bison bisonFooDB
Bocconia latisepalaLOTUS Database
Borago officinalisFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
BrachyuraFooDB
Brassica alboglabraFooDB
Brassica hirtaKNApSAcK Database
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Bubalus bubalisFooDB
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Canarium albumLOTUS Database
Canarium ovatumFooDB
Canavalia ensiformisLOTUS Database
Cancer magisterFooDB
Cannabis sativaCannabisDB
      Not Available
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papaya L.FooDB
CarideaFooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusKNApSAcK Database
Carum carviFooDB
CaryaFooDB
Carya illinoinensisFooDB
Cassia javanicaLOTUS Database
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Catharanthus roseusLOTUS Database
Cedrus libaniKNApSAcK Database
Celastrus paniculataLOTUS Database
Celosia cristadaKNApSAcK Database
Centaurea atropurpureaKNApSAcK Database
Ceratonia siliquaFooDB
CervidaeFooDB
Cervus canadensisFooDB
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chlamydomonas reinhardtiiLOTUS Database
Chrysanthemum coronariumFooDB
Cicer arietinumFooDB
CichlidaeFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum kotoenseLOTUS Database
Cinnamomum verumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus latifoliaFooDB
Citrus limonFooDB
Citrus maximaFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cleome amblyocarpaLOTUS Database
ClupeinaeFooDB
Cocos nuciferaKNApSAcK Database
Codonopsis pilosulaKNApSAcK Database
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
ColumbaFooDB
ColumbidaeFooDB
Corchorus olitoriusFooDB
CoregonusFooDB
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Crassostrea gigasFooDB
Crassostrea virginicaFooDB
Crateva religiosaFooDB
Crocus sativusFooDB
Croton tigliumKNApSAcK Database
Cryptostegia grandifloraLOTUS Database
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita foetidissimaLOTUS Database
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cuminum cyminumFooDB
Cuphea carthagenensisKNApSAcK Database
Curcuma longaFooDB
CyclopteridaeFooDB
Cydonia oblongaFooDB
Cymbopogon citratusFooDB
Cynara cardunculusFooDB
Cynara scolymusFooDB
Cystoclonium purpureumLOTUS Database
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Dipteryx lacuniferaLOTUS Database
Dovyalis caffraLOTUS Database
Dromaius novaehollandiaeFooDB
Drymaria cordataKNApSAcK Database
Duhaldea cappaLOTUS Database
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
Elaeagnus angustifoliaLOTUS Database
ElaeisFooDB
Elaeis guineensisKNApSAcK Database
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
EngraulidaeFooDB
Equus caballusFooDB
Eragrostis tefFooDB
Erigeron caucasicusLOTUS Database
Erigeron philadelphicusLOTUS Database
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Erucaria microcarpaLOTUS Database
Eryngium foetidumLOTUS Database
Erythroxylum monogynumLOTUS Database
Esox luciusFooDB
Etlingera elatiorLOTUS Database
EucheumaFooDB
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Euphausia superbaLOTUS Database
Eutrema japonicumFooDB
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Fernandoa adenophyllaLOTUS Database
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
GadiformesFooDB
GadusFooDB
Gallus gallusFooDB
Garcinia mangostanaFooDB
GastropodaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
Glycyrrhiza glabraLOTUS Database
GossypiumFooDB
Goupia glabraLOTUS Database
Grifola frondosaFooDB
Gymnodinium nagasakienseLOTUS Database
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Hibiscus cannabinusLOTUS Database
Hibiscus sabbariffaFooDB
Hibiscus sabdariffaLOTUS Database
HippoglossusFooDB
Hippoglossus hippoglossusFooDB
Hippophae rhamnoidesKNApSAcK Database
Holoptelea integrifoliaKNApSAcK Database
Hoplostethus atlanticusFooDB
Hordeum vulgareFooDB
Hypericum olympicumLOTUS Database
Hyssopus officinalis L.FooDB
Ictalurus punctatusFooDB
Illicium verumFooDB
Inula grandisLOTUS Database
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
Ipomoea leptophyllaLOTUS Database
Irvingia gabonensisLOTUS Database
Isatis tinctoriaLOTUS Database
Jasminum azoricum L.LOTUS Database
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagenaria sicerariaFooDB
Lagopus mutaFooDB
Lantana camaraKNApSAcK Database
Lathyrus sativusFooDB
Laurus nobilisKNApSAcK Database
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium meyeniiLOTUS Database
Lepidium sativumFooDB
LeporidaeFooDB
Lepus timidusFooDB
Levisticum officinaleFooDB
Limanda limandaFooDB
Lindera neesianaLOTUS Database
Linum usitatissimumFooDB
Litchi chinensisFooDB
Litsea glutinosaLOTUS Database
Lota lotaFooDB
Luffa aegyptiacaFooDB
Lumbricus terrestrisLOTUS Database
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mandragora autumnalisKNApSAcK Database
Mandragora officinarumLOTUS Database
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaFooDB
Melanitta fuscaFooDB
Melanogrammus aeglefinusFooDB
Meleagris gallopavoFooDB
Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Merlangius merlangusFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Micromesistius poutassouFooDB
Microstomus kittFooDB
Mitracarpus hirtusLOTUS Database
Molva molvaFooDB
Momordica charantiaFooDB
Monteverdia ilicifoliaLOTUS Database
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Musa acuminataFooDB
Musa paradisiacaLOTUS Database
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
MytilidaeFooDB
Narthecium ossifragumLOTUS Database
NelumboFooDB
Nelumbo nuciferaFooDB
Neolitsea aciculataKNApSAcK Database
Neolitsea sericeaKNApSAcK Database
Nepeta catariaLOTUS Database
Nepeta racemosaLOTUS Database
Nephelium lappaceumFooDB
NephropidaeFooDB
Nephrops norvegicusFooDB
Nigella sativa LKNApSAcK Database
Numida meleagrisFooDB
Nuphar luteaFooDB
Ocimum basilicumFooDB
Octopus vulgarisFooDB
OdocoileusFooDB
Oecophylla smaragdinaLOTUS Database
Oenothera biennisFooDB
Olea europaeaFooDB
Oncorhynchus gorbuschaFooDB
Oncorhynchus ketaFooDB
Oncorhynchus kisutchFooDB
Oncorhynchus mykissFooDB
Oncorhynchus nerkaFooDB
Oncorhynchus tshawytschaFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
OryctolagusFooDB
Oryza rufipogonFooDB
Oryza sativaFooDB
OsmeridaeFooDB
Ovis ariesFooDB
Pachyrhizus erosusFooDB
Panax ginsengFooDB
Pangium eduleFooDB
Panicum miliaceumFooDB
PapaverFooDB
Passiflora edulisFooDB
Passiflora incarnataLOTUS Database
Pastinaca sativaFooDB
PectinidaeFooDB
Pediomelum esculentumFooDB
Pelargonium endlicherianumLOTUS Database
Pelargonium graveolensLOTUS Database
Pentaclethra macrophyllaLOTUS Database
PerciformesFooDB
Perideridia oreganaFooDB
Persea americanaFooDB
Petasites hybridusKNApSAcK Database
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllanthus emblicaLOTUS Database
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Pimenta dioicaFooDB
Pimpinella anisumFooDB
PinusFooDB
Pinus edulisFooDB
Pinus pumilaLOTUS Database
Pinus radiataLOTUS Database
Pinus sibiricaKNApSAcK Database
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
PleuronectidaeFooDB
PleuronectiformesFooDB
Pleurotus ostreatusFooDB
Plumeria rubraLOTUS Database
PollachiusFooDB
Polygonum alpinumFooDB
Polygonum minusKNApSAcK Database
Populus tremulaLOTUS Database
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Primula ovalifoliaPlant
Proiphys amboinensisLOTUS Database
Prunus armeniacaFooDB
Prunus aviumFooDB
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Punica granatumKNApSAcK Database
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
RanidaeFooDB
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rehmannia glutinosaKNApSAcK Database
Reinhardtius hippoglossoidesFooDB
Rheum rhabarbarumFooDB
Rhodiola roseaPlant
Rhodiola rosea L.KNApSAcK Database
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
RosaFooDB
Rubia wallichianaLOTUS Database
Rubia wallichiana DECNEKNApSAcK Database
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
Ruellia tuberosaLOTUS Database
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Saccharina japonicaFooDB
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salmo salarFooDB
Salmonella entericaLOTUS Database
SalmonidaeFooDB
Salpa thompsoniLOTUS Database
SalvelinusFooDB
Salvelinus namaycushFooDB
Salvia elegansFooDB
Salvia fruticosaLOTUS Database
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Sander luciopercaFooDB
Santalum albumKNApSAcK Database
Satureja hortensis L.FooDB
Satureja montanaFooDB
Saussurea involucrataLOTUS Database
Scolochloa festucaceaLOTUS Database
ScombridaeFooDB
Scophthalmus maximusFooDB
Scorzonera hispanicaFooDB
Sebastes alutusFooDB
Sebastes viviparusFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Senecio adenotrichiusLOTUS Database
Senna alexandrinaLOTUS Database
Serenoa repensLOTUS Database
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Sideritis tauricaLOTUS Database
SiluriformesFooDB
Sinapis albaFooDB
SisymbriumFooDB
Solanum lycopersicumFooDB
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum quitoenseFooDB
Solanum tuberosumKNApSAcK Database
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spinacia oleraceaFooDB
Squalus acanthiasFooDB
Stenodus leucichthysFooDB
StrombidaeFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Syagrus romanzoffianaLOTUS Database
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Terminalia pallidaLOTUS Database
Tetragonia tetragonioidesFooDB
ThelespermaFooDB
ThunnusFooDB
Thunnus albacaresFooDB
Thymus pulegioidesFooDB
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tilia tomentosaLOTUS Database
Tragopogon porrifoliusFooDB
Tribulus terrestrisPlant
Trichodesma zeylanicumLOTUS Database
Trichosanthes kirilowiiKNApSAcK Database
Trichosanthes rosthorniiKNApSAcK Database
Trifolium pratensePlant
Trigonella foenum-graecumFooDB
Trisopterus esmarkiiFooDB
TriticumFooDB
Triticum aestivumKNApSAcK Database
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Turnera ulmifoliaLOTUS Database
Typha angustifoliaFooDB
Umbellularia californicaLOTUS Database
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valerianella locustaFooDB
VanillaFooDB
Ventilago denticulataLOTUS Database
Verbena officinalisFooDB
Viburnum eduleFooDB
Viburnum opulusLOTUS Database
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
Virola surinamensisFooDB
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis viniferaLOTUS Database
Vitis vinifera L.FooDB
Wolfiporia cocos-
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Species Where Detected
Species NameSourceReference
Acantophora spiciferaKNApSAcK Database
Ganoderma lucidumKNApSAcK Database
Homo sapiens (Skin)KNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Straight chain fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point44 - 46 °CNot Available
Boiling Point225.00 °C. @ 100.00 mm HgThe Good Scents Company Information System
Water Solubility0.0048 mg/mLNot Available
LogP4.60Sangster, J. (1993). LOGKOW- a Databank of Evaluated Octanol-Water Partition Coefficients. Sangster Research Laboratories, Montreal.
Predicted Properties
PropertyValueSource
Water Solubility0.01 g/LALOGPS
logP5.13ALOGPS
logP4.48ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)4.95ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity58.68 m³·mol⁻¹ChemAxon
Polarizability25.85 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0000638
DrugBank IDDB03017
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030978
KNApSAcK IDC00001221
Chemspider ID3756
KEGG Compound IDC02679
BioCyc IDDODECANOATE
BiGG ID40351
Wikipedia LinkLauric_acid
METLIN ID5611
PubChem Compound3893
PDB IDNot Available
ChEBI ID30805
Good Scents IDrw1008181
References
General References
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  2. Hoffmann GF, Meier-Augenstein W, Stockler S, Surtees R, Rating D, Nyhan WL: Physiology and pathophysiology of organic acids in cerebrospinal fluid. J Inherit Metab Dis. 1993;16(4):648-69. [PubMed:8412012 ]
  3. Amet Y, Berthou F, Fournier G, Dreano Y, Bardou L, Cledes J, Menez JF: Cytochrome P450 4A and 2E1 expression in human kidney microsomes. Biochem Pharmacol. 1997 Mar 21;53(6):765-71. [PubMed:9113097 ]
  4. Smith SW, Anderson BD: Human skin permeability enhancement by lauric acid under equilibrium aqueous conditions. J Pharm Sci. 1995 May;84(5):551-6. [PubMed:7658343 ]
  5. Powell PK, Wolf I, Lasker JM: Identification of CYP4A11 as the major lauric acid omega-hydroxylase in human liver microsomes. Arch Biochem Biophys. 1996 Nov 1;335(1):219-26. [PubMed:8914854 ]
  6. Ryan MT, Chopra RK: The paradoxical effect of fatty acid on steroid-albumin interaction. Biochim Biophys Acta. 1976 Mar 18;427(1):337-49. [PubMed:1260006 ]
  7. Amet Y, Berthou F, Baird S, Dreano Y, Bail JP, Menez JF: Validation of the (omega-1)-hydroxylation of lauric acid as an in vitro substrate probe for human liver CYP2E1. Biochem Pharmacol. 1995 Nov 27;50(11):1775-82. [PubMed:8615855 ]
  8. Kitahara T, Koyama N, Matsuda J, Aoyama Y, Hirakata Y, Kamihira S, Kohno S, Nakashima M, Sasaki H: Antimicrobial activity of saturated fatty acids and fatty amines against methicillin-resistant Staphylococcus aureus. Biol Pharm Bull. 2004 Sep;27(9):1321-6. [PubMed:15340213 ]
  9. Authors unspecified: NTP Toxicology and Carcinogenesis Studies of Lauric Acid Diethanolamine Condensate (CAS NO. 120-40-1) in F344/N Rats and B6C3F1 Mice (Dermal Studies). Natl Toxicol Program Tech Rep Ser. 1999 Jul;480:1-200. [PubMed:12571683 ]
  10. Amet Y, Berthou F, Menez JF: Simultaneous radiometric and fluorimetric detection of lauric acid metabolites using high-performance liquid chromatography following esterification with 4-bromomethyl-6,7-dimethoxycoumarin in human and rat liver microsomes. J Chromatogr B Biomed Appl. 1996 Jun 7;681(2):233-9. [PubMed:8811432 ]