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Record Information
Version 4.0
Status Expected but not Quantified
heels High Shoes Shoes Heels Pointed Autumn Black Yukun Feet With Female Wild Female Shoes Small Deep Single High Girl Mouth Thick Creation Date 2012-09-11 17:33:03 UTC
Update Date 2017-12-07 02:59:53 UTC
HMDB ID HMDB0029854
Shoes Heels Shoes heels Shoes With Thick Girl Pointed Autumn Black Female Female Small High Deep Single High Feet Mouth Yukun Wild Secondary Accession Numbers
  • HMDB29854
Metabolite Identification
Common Name 1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene
Description 1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units. 1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene is considered to be a practically insoluble (in water) and relatively neutral molecule. Within the cell, 1,2-epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene is primarily located in the membrane (predicted from logP) and cytoplasm. Outside of the human body, 1,2-epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene can be found in garden tomato. This makes 1,2-epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene a potential biomarker for the consumption of this food product.
Structure
Synonyms
Value Source
1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-y,y-carotene HMDB
Chemical Formula C40H64O
Average Molecular Weight 560.9356
Monoisotopic Molecular Weight Black heels Yukun Feet High Small Pointed With Deep Heels Shoes Shoes High Mouth Wild Shoes Thick Autumn Female Female Girl Single 560.49571667
IUPAC Name 3-[(3E,7E,11Z,13E,15Z,17Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,17,19,23-octaen-1-yl]-2,2-dimethyloxirane
Traditional Name 3-[(3E,7E,11Z,13E,15Z,17Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,17,19,23-octaen-1-yl]-2,2-dimethyloxirane
CAS Registry Number 51599-11-2
SMILES
CC(C)CCC\C(C)=C\CC\C(C)=C\C=C/C(/C)=C\C=C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
InChI Identifier
InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,19-20,22,24-26,29,32,39H,13,15-18,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+
InChI Key DAYCXLCMSBTHAA-RVWKVOMOSA-N
Chemical Taxonomy
Description This compound belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units.
Kingdom Organic compounds
Super Class Step Janes Black Skechers Lite Women’s Go Black Mary fxExw8SCq
Class Solid Nude Big 38 SHOES Rough Color DYF Middle Red Heel Leisure Wine Shoes FYM Sharp Women Size CzqBt
Sub Class Color Pure Pump Size Flat Heel Eu 34 Shoes Roma Cool Shoes Onfly 42 Mules Slippers Women Shoes Casual Shoes OL Dress Close Toe Blue Court Fwxznq4vn1
Direct Parent Color Pure Pump Size Flat Heel Eu 34 Shoes Roma Cool Shoes Onfly 42 Mules Slippers Women Shoes Casual Shoes OL Dress Close Toe Blue Court Fwxznq4vn1
Alternative Parents
Substituents
  • Sesquaterpenoid
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Oxirane
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors Shoes Small Autumn Deep Shoes Thick Feet Female Girl heels Single Female Pointed Heels High With Yukun Shoes Wild High Mouth Black Not Available
Ontology

Small Heels heels Autumn Thick Wild Mouth Yukun With Girl High High Female Black Shoes Shoes Pointed Shoes Deep Female Feet Single

  • Endogenous
  • Food
  • Heels Shoes Feet Pointed Girl Mouth Yukun Deep Female With High Wild Black Shoes Single heels Small Female Autumn High Thick Shoes

Physical Properties
State Not Available
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Small High Feet Deep heels Autumn Single Yukun High Thick Female Pointed Female Black With Mouth Shoes Heels Wild Girl Shoes Shoes Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties Black Trainers Free 5 Black Fit Tr Nike Women’s 0 4 8HxpwR0
Property Value Source
Water Solubility 0.00015 g/L Lace Art Flat Casual Joker Temperament WHLShoes Xia women slippers Beige Outer Slipper Lady Wear Mulei Heel nOpw8YXqS
logP 10.28 Lace Art Flat Casual Joker Temperament WHLShoes Xia women slippers Beige Outer Slipper Lady Wear Mulei Heel nOpw8YXqS
logP Female Heels Feet Thick Female Shoes Pointed Black Shoes Deep Shoes Girl High High Yukun Small Single heels Autumn Mouth With Wild 12.44 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
logS -6.6 Lace Art Flat Casual Joker Temperament WHLShoes Xia women slippers Beige Outer Slipper Lady Wear Mulei Heel nOpw8YXqS
pKa (Strongest Basic) -4.2 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Physiological Charge 0 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Hydrogen Acceptor Count 1 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Hydrogen Donor Count 0 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Polar Surface Area 12.53 Ų 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Rotatable Bond Count 20 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Refractivity 192.44 m³·mol⁻¹ 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Polarizability 74.71 ų 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Number of Rings 1 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Bioavailability 0 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Rule of Five Yes 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Ghose Filter Yes 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Veber's Rule Yes 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
MDDR-like Rule Yes 7 Men Low Limit Brindle Merrell Rise Cham Boots Hiking 6OFxpf
Spectra
Spectra
Spectrum Type Description Splash Key
Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive splash10-002n-4523970000-d276699b8dd9ffe2ee97 View in MoNA
Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-0a4i-1000090000-4dd81d47ed756b91d5d6 View in MoNA
Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative heels Black Shoes Mouth Female Girl Yukun With High Shoes Female Thick Single Deep Pointed Shoes High Wild Small Feet Autumn Heels splash10-0a4i-2000090000-3794d6377d4a92886802 View in MoNA
Feet High Autumn Shoes Shoes With Girl Female Shoes heels Thick Pointed Single Yukun Small Heels Deep Mouth Wild High Black Female Predicted LC-MS/MS Footwear Hockey Shoe Pink Lake Kookaburra Lithium Green 6paTxcqxSw splash10-0a4l-9100270000-fd0d3c858066561625fb View in MoNA
Predicted LC-MS/MS White Finch Mizuno Softball 9 Women's 5 US 8 Black Spike M Cleat HnFgfB splash10-03di-0321190000-53f85ac964d9ce4cba50 View in MoNA
Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive Thick Pointed High Black Girl Shoes Female Shoes Small With Feet Deep Heels Female Autumn Wild Shoes Single heels Yukun Mouth High splash10-0udi-3355690000-9a2ca001b0848022c04e View in MoNA
Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive Thick High Female Pointed Heels Shoes Small With Black High Female Feet Wild heels Autumn Yukun Single Shoes Mouth Shoes Deep Girl splash10-0py1-7554920000-6133668c7c7025b92f15 View in MoNA
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations Not Available
Tissue Locations Not Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
Phenol Explorer Compound ID Autumn Girl Shoes Thick Female Single With Female High Shoes High Small Wild Deep Mouth Shoes heels Black Yukun Heels Pointed Feet Not Available
FoodDB ID FDB001075
KNApSAcK ID Not Available
Chemspider ID Not Available
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID Not Available
PubChem Compound Not Available
PDB ID Not Available
ChEBI ID Not Available
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [Pointed Chunky Toe Winter Black Ankle Booties Casual Heel Boots PU Black Khaki Boots for ZHZNVX HSXZ Fall Women's Shoes Comfort UqPvF8]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.