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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:15:34 UTC

Update Date

2022-03-07 02:55:09 UTC

HMDB ID

HMDB0037016

Secondary Accession Numbers

HMDB37016

Metabolite Identification

Common Name

p-Menth-1-en-5-ol

Description

p-Menth-1-en-5-ol belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Based on a literature review a small amount of articles have been published on p-Menth-1-en-5-ol.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0037016
     RDKit          3D
p-Menth-1-en-5-ol
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.6556    0.1139   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    0.0158   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.9918   -0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0663    0.8249   -0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940    0.3248    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656   -0.0299    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    1.1693    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -1.1419   -0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613   -0.7794    1.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999   -0.4493    2.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -1.1909    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081   -0.6261   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    1.0979   -0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1327   -0.1961    0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.8711   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4229    0.0529   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    1.8060   -0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    1.2020    1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541   -0.3727    1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935    1.5067   -0.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7004    1.9865    0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8819    0.8273    0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471   -1.4494   -0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703   -0.8420   -1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754   -2.0377   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2867   -1.6615    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160    0.4965    2.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287   -1.7403    0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811   -1.7699   -0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
M  END

HMDB0037016
     RDKit          3D
p-Menth-1-en-5-ol
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.6556    0.1139   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    0.0158   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.9918   -0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0663    0.8249   -0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940    0.3248    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656   -0.0299    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    1.1693    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -1.1419   -0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613   -0.7794    1.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999   -0.4493    2.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -1.1909    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081   -0.6261   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    1.0979   -0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1327   -0.1961    0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.8711   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4229    0.0529   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    1.8060   -0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    1.2020    1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541   -0.3727    1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935    1.5067   -0.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7004    1.9865    0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8819    0.8273    0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471   -1.4494   -0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703   -0.8420   -1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754   -2.0377   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2867   -1.6615    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160    0.4965    2.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287   -1.7403    0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811   -1.7699   -0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
M  END

COMPND    HMDB0037016
HETATM    1  C1  UNL     1       3.656   0.114  -0.391  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.183   0.016  -0.367  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.403   0.992  -0.823  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.066   0.825  -0.767  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.494   0.325   0.584  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.966  -0.030   0.586  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.824   1.169   0.245  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.287  -1.142  -0.380  1.00  0.00           C  
HETATM    9  C9  UNL     1       0.361  -0.779   1.113  1.00  0.00           C  
HETATM   10  O1  UNL     1       0.900  -0.449   2.371  1.00  0.00           O  
HETATM   11  C10 UNL     1       1.467  -1.191   0.172  1.00  0.00           C  
HETATM   12  H1  UNL     1       4.008  -0.626  -1.169  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.950   1.098  -0.751  1.00  0.00           H  
HETATM   14  H3  UNL     1       4.133  -0.196   0.552  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.900   1.871  -1.216  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.423   0.053  -1.512  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.519   1.806  -0.979  1.00  0.00           H  
HETATM   18  H7  UNL     1      -0.399   1.202   1.287  1.00  0.00           H  
HETATM   19  H8  UNL     1      -2.254  -0.373   1.595  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.593   1.507  -0.802  1.00  0.00           H  
HETATM   21  H10 UNL     1      -2.700   1.987   0.977  1.00  0.00           H  
HETATM   22  H11 UNL     1      -3.882   0.827   0.288  1.00  0.00           H  
HETATM   23  H12 UNL     1      -3.347  -1.449  -0.154  1.00  0.00           H  
HETATM   24  H13 UNL     1      -2.270  -0.842  -1.431  1.00  0.00           H  
HETATM   25  H14 UNL     1      -1.675  -2.038  -0.148  1.00  0.00           H  
HETATM   26  H15 UNL     1      -0.287  -1.662   1.295  1.00  0.00           H  
HETATM   27  H16 UNL     1       0.716   0.497   2.523  1.00  0.00           H  
HETATM   28  H17 UNL     1       2.229  -1.740   0.781  1.00  0.00           H  
HETATM   29  H18 UNL     1       1.081  -1.770  -0.668  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    3   11
CONECT    3    4   15
CONECT    4    5   16   17
CONECT    5    6    9   18
CONECT    6    7    8   19
CONECT    7   20   21   22
CONECT    8   23   24   25
CONECT    9   10   11   26
CONECT   10   27
CONECT   11   28   29
END

HMDB0037016
     RDKit          3D
p-Menth-1-en-5-ol
 29 29  0  0  0  0  0  0  0  0999 V2000
    3.6556    0.1139   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    0.0158   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.9918   -0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0663    0.8249   -0.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4940    0.3248    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656   -0.0299    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    1.1693    0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869   -1.1419   -0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613   -0.7794    1.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999   -0.4493    2.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -1.1909    0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081   -0.6261   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    1.0979   -0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1327   -0.1961    0.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    1.8711   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4229    0.0529   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    1.8060   -0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    1.2020    1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541   -0.3727    1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935    1.5067   -0.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7004    1.9865    0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8819    0.8273    0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471   -1.4494   -0.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703   -0.8420   -1.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754   -2.0377   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2867   -1.6615    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160    0.4965    2.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2287   -1.7403    0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811   -1.7699   -0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-Terpinen-5-ol	HMDB
3-Methyl-6-(1-methylethyl)-3-cyclohexen-1-ol	HMDB
6-Isopropyl-3-methyl-3-cyclohexen-1-ol	HMDB
P-Menth-1(6)-en-3-ol	HMDB

Chemical Formula

C₁₀H₁₈O

Average Molecular Weight

154.2493

Monoisotopic Molecular Weight

154.135765198

IUPAC Name

3-methyl-6-(propan-2-yl)cyclohex-3-en-1-ol

Traditional Name

6-isopropyl-3-methylcyclohex-3-en-1-ol

CAS Registry Number

55708-42-4

SMILES

CC(C)C1CC=C(C)CC1O

InChI Identifier

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h4,7,9-11H,5-6H2,1-3H3

InChI Key

UDQXLNRIDGDFAR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Menthane monoterpenoids

Alternative Parents

Substituents

P-menthane monoterpenoid
Monocyclic monoterpenoid
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037016)

Source

Endogenous

Endogenous (HMDB: HMDB0037016)

Plant

Plant (HMDB: HMDB0037016)

Animal

Animal (HMDB: HMDB0037016)

Exogenous

Food

Food (HMDB: HMDB0037016)

Herb and spice

Spice

Pepper (Spice) (FooDB: FOOD00139)

Herbs and Spices (FooDB: FOOD00866)

Fruit

Fruits (FooDB: FOOD00871)

Exogenous (HMDB: HMDB0037016)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0037016)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0037016)

Lipid metabolism pathway (HMDB: HMDB0037016)

Cellular process

Cell signaling (HMDB: HMDB0037016)

Biochemical process

Lipid transport (HMDB: HMDB0037016)

Role

Biological role

Energy source (HMDB: HMDB0037016)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0037016)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.37 g/L	ALOGPS
logP	2.4	ALOGPS
logP	2.26	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	19.45	ChemAxon
pKa (Strongest Basic)	-0.85	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	48.3 m³·mol⁻¹	ChemAxon
Polarizability	18.74 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	136.038	31661259
DarkChem	[M-H]-	131.611	31661259
DeepCCS	[M+H]+	142.249	30932474
DeepCCS	[M-H]-	139.561	30932474
DeepCCS	[M-2H]-	175.98	30932474
DeepCCS	[M+Na]+	151.355	30932474
AllCCS	[M+H]+	134.5	32859911
AllCCS	[M+H-H2O]+	130.1	32859911
AllCCS	[M+NH4]+	138.7	32859911
AllCCS	[M+Na]+	139.8	32859911
AllCCS	[M-H]-	139.3	32859911
AllCCS	[M+Na-2H]-	140.9	32859911
AllCCS	[M+HCOO]-	142.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
p-Menth-1-en-5-ol	CC(C)C1CC=C(C)CC1O	1749.6	Standard polar	33892256
p-Menth-1-en-5-ol	CC(C)C1CC=C(C)CC1O	1169.8	Standard non polar	33892256
p-Menth-1-en-5-ol	CC(C)C1CC=C(C)CC1O	1192.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
p-Menth-1-en-5-ol,1TMS,isomer #1	CC1=CCC(C(C)C)C(O[Si](C)(C)C)C1	1272.4	Semi standard non polar	33892256
p-Menth-1-en-5-ol,1TBDMS,isomer #1	CC1=CCC(C(C)C)C(O[Si](C)(C)C(C)(C)C)C1	1497.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - p-Menth-1-en-5-ol GC-MS (Non-derivatized) - 70eV, Positive	splash10-000f-9500000000-023738cddbca23c18165	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - p-Menth-1-en-5-ol GC-MS (1 TMS) - 70eV, Positive	splash10-044u-9520000000-293b2aedc668f841b1dd	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - p-Menth-1-en-5-ol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - p-Menth-1-en-5-ol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 10V, Positive-QTOF	splash10-052r-0900000000-22d78f130a86fa99ae63	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 20V, Positive-QTOF	splash10-052r-6900000000-7d1ff4e300eb95bc54ef	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 40V, Positive-QTOF	splash10-0ldi-9200000000-5b5aba540fce9e3a59e7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 10V, Negative-QTOF	splash10-0udi-0900000000-064678b7e181119978c8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 20V, Negative-QTOF	splash10-0udi-0900000000-59255cd0c820d5b7be10	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 40V, Negative-QTOF	splash10-0m53-5900000000-c2c0e508d59963f7d621	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 10V, Positive-QTOF	splash10-08g1-6900000000-b6fa56abcae474ee72b1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 20V, Positive-QTOF	splash10-05ne-9200000000-6424cd9eb2e2f2d6edc8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 40V, Positive-QTOF	splash10-0006-9000000000-82a0a7e23e2ff2f177c4	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 10V, Negative-QTOF	splash10-0udi-0900000000-d2363ae8d4dbdcccda80	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 20V, Negative-QTOF	splash10-0udi-0900000000-50a9f74e3c4cd070f6c2	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - p-Menth-1-en-5-ol 40V, Negative-QTOF	splash10-014l-9600000000-3974c24201f491de4ff0	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB015994

KNApSAcK ID

C00010929

Chemspider ID

35014348

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

68124095

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
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 ]
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 ]
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 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for p-Menth-1-en-5-ol (HMDB0037016)

MOL for HMDB0037016 (p-Menth-1-en-5-ol)

3D MOL for HMDB0037016 (p-Menth-1-en-5-ol)

3D SDF for HMDB0037016 (p-Menth-1-en-5-ol)

3D-SDF for HMDB0037016 (p-Menth-1-en-5-ol)

PDB for HMDB0037016 (p-Menth-1-en-5-ol)

3D PDB for HMDB0037016 (p-Menth-1-en-5-ol)

SMILES for HMDB0037016 (p-Menth-1-en-5-ol)

INCHI for HMDB0037016 (p-Menth-1-en-5-ol)

Structure for HMDB0037016 (p-Menth-1-en-5-ol)

3D Structure for HMDB0037016 (p-Menth-1-en-5-ol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra