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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:35:18 UTC
Update Date2021-09-14 15:40:02 UTC
HMDB IDHMDB0030180
Secondary Accession Numbers
  • HMDB30180
Metabolite Identification
Common NameCrustecdysone
DescriptionCrustecdysone, also known as ecdysterone or beta-ecdysone, belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group. Thus, crustecdysone is considered to be a sterol. Based on a literature review a significant number of articles have been published on Crustecdysone.
Structure
Data?1563861949
Synonyms
ValueSource
20-OH EcdysoneChEBI
beta-EcdysoneChEBI
beta-EcdysteroneChEBI
EcdysteroneChEBI
b-EcdysoneGenerator
Β-ecdysoneGenerator
b-EcdysteroneGenerator
Β-ecdysteroneGenerator
20 HydroxyecdysoneHMDB
Beta EcdysoneHMDB
CrustecdysoneChEBI
(2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-onePhytoBank
(2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-onePhytoBank
(+)-20-HydroxyecdysonePhytoBank
(+)-EcdysteronePhytoBank
20-Hydroxy-alpha-ecdysonePhytoBank
20-Hydroxy-α-ecdysonePhytoBank
20-HydroxyecdysonePhytoBank
20R-HydroxyecdysonePhytoBank
2beta,3beta,14alpha,20beta,22alpha,25-Hexahydroxycholest-7-en-6-onePhytoBank
2β,3β,14α,20β,22α,25-Hexahydroxycholest-7-en-6-onePhytoBank
CommisteronePhytoBank
CrustecdysonPhytoBank
EcdystenPhytoBank
EcdysteronPhytoBank
EkdistenPhytoBank
Polypodin APhytoBank
Polypodin CPhytoBank
Polypodine APhytoBank
Polypodine CPhytoBank
beta-EcydisonePhytoBank
β-EcydisonePhytoBank
Chemical FormulaC27H44O7
Average Molecular Weight480.6341
Monoisotopic Molecular Weight480.308703762
IUPAC Name(1R,2R,4S,5R,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-14-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one
Traditional Name(1R,2R,4S,5R,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-14-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one
CAS Registry Number5289-74-7
SMILES
[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@](C)(O)[C@H](O)CCC(C)(C)O
InChI Identifier
InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChI KeyNKDFYOWSKOHCCO-YPVLXUMRSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassBile acids, alcohols and derivatives
Direct ParentHydroxy bile acids, alcohols and derivatives
Alternative Parents
Substituents
  • Hexahydroxy bile acid, alcohol, or derivatives
  • Cholesterol
  • Cholesterol-skeleton
  • Cholestane-skeleton
  • Ecdysteroid
  • 25-hydroxysteroid
  • Hydroxy bile acid, alcohol, or derivatives
  • 22-hydroxysteroid
  • 20-hydroxysteroid
  • 3-hydroxy-delta-7-steroid
  • 2-hydroxysteroid
  • 3-beta-hydroxysteroid
  • Oxosteroid
  • 6-oxosteroid
  • Hydroxysteroid
  • 3-hydroxysteroid
  • 14-hydroxysteroid
  • Delta-7-steroid
  • Cyclohexenone
  • Tertiary alcohol
  • Cyclic alcohol
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxide
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Organooxygen compound
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location:

Route of exposure:

Source:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point237.5 - 239.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.42 g/LALOGPS
logP1.3ALOGPS
logP0.61ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.26ChemAxon
pKa (Strongest Basic)-2.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area138.45 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity128.88 m³·mol⁻¹ChemAxon
Polarizability53.6 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Collision Cross Sections

NameAdductTypeData SourceValueReference
AllCCS[M+H]+ExperimentalNot Available221.263http://allccs.zhulab.cn/database/detail?ID=AllCCS00001266

Retention Indices

Underivatized

Not Available

Derivatized

DerivativeValueReference
Crustecdysone,1TMS,#13800.2856https://arxiv.org/abs/1905.12712
Crustecdysone,1TMS,#23784.459https://arxiv.org/abs/1905.12712
Crustecdysone,1TMS,#33813.4849https://arxiv.org/abs/1905.12712
Crustecdysone,1TMS,#43868.234https://arxiv.org/abs/1905.12712
Crustecdysone,1TMS,#53848.907https://arxiv.org/abs/1905.12712
Crustecdysone,1TMS,#64009.894https://arxiv.org/abs/1905.12712
Crustecdysone,1TMS,#73710.8438https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#13890.4744https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#23707.1096https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#33738.2002https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#43656.8765https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#53677.649https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#63634.0107https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#73886.2966https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#83689.1616https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#93727.4153https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#103669.951https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#113624.3225https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#123920.4443https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#133719.6216https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#143758.8252https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#153669.6013https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#163978.159https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#173767.3342https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#183673.288https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#193955.4138https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#203633.5867https://arxiv.org/abs/1905.12712
Crustecdysone,2TMS,#213841.4077https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#13824.372https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#23854.8464https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#33777.5027https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#43799.5396https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#53763.675https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#63666.0903https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#73599.4697https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#83619.619https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#93583.7095https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#103637.8665https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#113655.8745https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#123618.5298https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#133592.2595https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#143562.5674https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#153594.2375https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#163814.3516https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#173856.091https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#183797.8777https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#193776.201https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#203646.0234https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#213622.618https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#223576.434https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#233660.246https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#243619.778https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#253587.0503https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#263849.889https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#273893.8477https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#283820.7932https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#293678.221https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#303617.364https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#313661.1543https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#323908.3281https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#333821.046https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#343606.5312https://arxiv.org/abs/1905.12712
Crustecdysone,3TMS,#353774.3254https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#13817.135https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#23746.9124https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#33768.2207https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#43733.0337https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#53787.8694https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#63806.0813https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#73772.0154https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#83740.0024https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#93725.1367https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#103751.9966https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#113612.2356https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#123625.7593https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#133593.2278https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#143569.802https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#153552.8125https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#163578.8582https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#173613.8674https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#183597.3691https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#193624.7507https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#203551.0894https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#213799.3574https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#223775.9668https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#233719.7266https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#243811.1104https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#253766.555https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#263744.5232https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#273627.2744https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#283581.6748https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#293571.5552https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#303618.9824https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#313836.511https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#323756.1633https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#333808.755https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#343610.6792https://arxiv.org/abs/1905.12712
Crustecdysone,4TMS,#353755.0435https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#13775.97https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#23788.2886https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#33755.1501https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#43739.462https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#53708.85https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#63739.8901https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#73778.5522https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#83757.2693https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#93785.5732https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#103715.3423https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#113611.34https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#123584.3599https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#133607.807https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#143548.402https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#153594.1416https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#163791.2283https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#173737.966https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#183718.9749https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#193772.7732https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#203594.2063https://arxiv.org/abs/1905.12712
Crustecdysone,5TMS,#213775.7593https://arxiv.org/abs/1905.12712
Crustecdysone,1TBDMS,#14000.451https://arxiv.org/abs/1905.12712
Crustecdysone,1TBDMS,#24007.8474https://arxiv.org/abs/1905.12712
Crustecdysone,1TBDMS,#34040.5645https://arxiv.org/abs/1905.12712
Crustecdysone,1TBDMS,#44106.5986https://arxiv.org/abs/1905.12712
Crustecdysone,1TBDMS,#54093.9734https://arxiv.org/abs/1905.12712
Crustecdysone,1TBDMS,#64234.317https://arxiv.org/abs/1905.12712
Crustecdysone,1TBDMS,#74006.8335https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#14300.861https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#24160.714https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#34189.0747https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#44097.004https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#54114.875https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#64088.0198https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#74330.1934https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#84175.118https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#94199.222https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#104121.9487https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#114121.7246https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#124362.116https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#134209.1284https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#144234.6875https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#154183.2524https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#164432.777https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#174273.8965https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#184174.548https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#194409.655https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#204137.7036https://arxiv.org/abs/1905.12712
Crustecdysone,2TBDMS,#214317.2656https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#14465.192https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#24495.074https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#34407.9395https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#44435.799https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#54393.7134https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#64378.025https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#74273.0454https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#84293.658https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#94248.9775https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#104313.014https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#114334.567https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#124297.262https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#134233.018https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#144220.9805https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#154255.2466https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#164492.752https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#174523.35https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#184452.497https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#194437.2466https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#204380.6636https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#214306.0225https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#224261.93https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#234338.464https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#244304.6094https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#254259.137https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#264536.5176https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#274569.183https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#284498.9434https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#294417.5674https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#304314.0845https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#314358.428https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#324614.343https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#334485.126https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#344318.109https://arxiv.org/abs/1905.12712
Crustecdysone,3TBDMS,#354445.83https://arxiv.org/abs/1905.12712
Spectra

LC-MS/MS

Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01ot-0000900000-61270eb4d9884b80e40e2019-02-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-2104900000-692f7d34774f4473eccd2019-02-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014j-9126800000-56abcd661a69fa5e2c032019-02-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-01t9-0000900000-5e5c27b2b419a59ebd722019-02-23View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-1208900000-336da290c6badec732dd2019-02-23View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03xv-2119200000-0bf9ed70e7072a4014ef2019-02-23View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0000900000-75b6ff99e4177dc887382021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0002900000-1923d3135a2dc1b8fd6b2021-09-22View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-002r-2003900000-811d22e2b8b9e164dbcb2021-09-22View Spectrum
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00003654
Chemspider ID4573597
KEGG Compound IDNot Available
BioCyc IDCPD-276
BiGG IDNot Available
Wikipedia Link20-Hydroxyecdysone
METLIN IDNot Available
PubChem Compound5459840
PDB IDNot Available
ChEBI ID16587
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Kaplanis JN, Thompson MJ, Dutky SR, Robbins WE: The ecdysteroids from the tobacco hornworm during pupal-adult development five days after peak titer of molting hormone activity. Steroids. 1979 Sep;34(3):333-45. [PubMed:494370 ]
  2. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  3. 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 ]
  4. 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 ]
  5. 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 ]
  6. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  7. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.