NP-MRD: Showing NP-Card for 5b-Cholestane-3a,7a,12a,23R,25-pentol (NP0086599)

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Record Information

Version

2.0

Created at

2022-05-11 16:25:37 UTC

Updated at

2022-05-11 16:25:37 UTC

NP-MRD ID

NP0086599

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5b-Cholestane-3a,7a,12a,23R,25-pentol

Description

Capric acid, also known as decanoate or 10:0, 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. A C10, straight-chain saturated fatty acid. Capric acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Capric acid exists in all living species, ranging from bacteria to humans. Within humans, capric acid participates in a number of enzymatic reactions. In particular, capric acid can be biosynthesized from trans-dec-2-enoic acid; which is mediated by the enzyme fatty acid synthase. Enoyl reductase domain. In addition, capric acid and malonic acid can be converted into 3-oxododecanoic acid; which is catalyzed by the enzyme fatty acid synthase. Beta ketoacyl synthase domain. In humans, capric acid is involved in fatty acid biosynthesis. Capric acid is a citrus, fat, and fatty tasting compound. Outside of the human body, Capric acid is found, on average, in the highest concentration within a few different foods, such as babassu palms, coconuts, and oil palms and in a lower concentration in trail mixs, pepper (c. Annuum), and icings. Capric acid has also been detected, but not quantified in, several different foods, such as pikeperchs, red beetroots, bearded seals, red algaes, and phyllo doughs. This could make capric acid a potential biomarker for the consumption of these foods. 5b-Cholestane-3a,7a,12a,23R,25-pentol was first documented in 2010 (PMID: 20661498). Capric acid is a potentially toxic compound (PMID: 24284257) (PMID: 24357269).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02231218342D          

 37 40  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv0541 02231218342D          

 37 40  0  0  1  0            999 V2000
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   16.9602   -6.6354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7610   -7.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1811   -5.8162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5511   -9.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6747   -8.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9602   -5.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2241   -3.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8381   -3.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6450   -3.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2860   -2.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0311   -3.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  6  0  0  0
 12 19  1  1  0  0  0
 17 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 25  1  6  0  0  0
  5 26  1  1  0  0  0
  9 27  1  1  0  0  0
 11 28  1  6  0  0  0
 17 29  1  6  0  0  0
  4 30  1  1  0  0  0
  8 31  1  6  0  0  0
 13 32  1  6  0  0  0
 23 33  1  1  0  0  0
 34 24  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0086599

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](O)CC(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

> <INCHI_KEY>
OXSBBBPDYVCAKC-DYGXNTOZSA-N

> <FORMULA>
C27H48O5

> <MOLECULAR_WEIGHT>
452.667

> <EXACT_MASS>
452.350174646

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
53.89994525440921

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol

> <ALOGPS_LOGP>
2.33

> <JCHEM_LOGP>
2.048265429999999

> <ALOGPS_LOGS>
-3.94

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.645063029834372

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.929131741707618

> <JCHEM_PKA_STRONGEST_BASIC>
-0.15943482452902014

> <JCHEM_POLAR_SURFACE_AREA>
101.15

> <JCHEM_REFRACTIVITY>
126.33649999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.22e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      26.324 -13.926   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      26.324 -15.466   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      27.658 -16.236   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      28.992 -15.466   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      28.992 -13.926   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      27.658 -13.156   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      30.325 -16.236   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      31.659 -15.466   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      31.659 -13.926   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      30.325 -13.156   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      32.993 -13.156   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      32.993 -11.616   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      31.659 -10.846   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.325 -11.616   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      34.458 -13.632   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      35.363 -12.386   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      34.458 -11.140   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      24.991 -16.236   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      33.154 -10.085   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      34.933  -9.676   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      33.903  -8.531   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      36.440  -9.356   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      36.916  -7.891   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      38.422  -7.571   0.000  0.00  0.00           C+0
HETATM   25  H   UNK     0      30.325 -14.696   0.000  0.00  0.00           H+0
HETATM   26  C   UNK     0      28.992 -12.386   0.000  0.00  0.00           C+0
HETATM   27  H   UNK     0      31.659 -12.386   0.000  0.00  0.00           H+0
HETATM   28  H   UNK     0      33.154 -14.688   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0      35.805 -10.857   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0      29.029 -17.042   0.000  0.00  0.00           H+0
HETATM   31  O   UNK     0      32.993 -16.236   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      31.659  -9.435   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      35.885  -6.747   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      38.898  -6.106   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      40.404  -5.786   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      37.867  -4.962   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      37.391  -6.426   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7   30                                             
CONECT    5    4    6   10   26                                             
CONECT    6    5    1                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9   31                                                  
CONECT    9    8   10   11   27                                             
CONECT   10    9    5   14   25                                             
CONECT   11    9   12   15   28                                             
CONECT   12   11   13   17   19                                             
CONECT   13   12   14   32                                                  
CONECT   14   13   10                                                       
CONECT   15   11   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12   20   29                                             
CONECT   18    2                                                            
CONECT   19   12                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   33                                                  
CONECT   24   23   34                                                       
CONECT   25   10                                                            
CONECT   26    5                                                            
CONECT   27    9                                                            
CONECT   28   11                                                            
CONECT   29   17                                                            
CONECT   30    4                                                            
CONECT   31    8                                                            
CONECT   32   13                                                            
CONECT   33   23                                                            
CONECT   34   24   35   36   37                                             
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   34                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
1-Nonanecarboxylic acid	ChEBI
10:0	ChEBI
C10:0	ChEBI
Caprinic acid	ChEBI
CH3-[CH2]8-COOH	ChEBI
Decanoate	ChEBI
Decoic acid	ChEBI
Decylic acid	ChEBI
Dekansaeure	ChEBI
Kaprinsaeure	ChEBI
N-Capric acid	ChEBI
N-Decanoic acid	ChEBI
N-Decoic acid	ChEBI
N-Decylic acid	ChEBI
1-Nonanecarboxylate	Generator
Caprinate	Generator
Decanoic acid	Generator
Decoate	Generator
Decylate	Generator
N-Caprate	Generator
N-Decanoate	Generator
N-Decoate	Generator
N-Decylate	Generator
Caprate	Generator
Caprynate	HMDB
Caprynic acid	HMDB
Emery 659	HMDB
Lunac 10-95	HMDB
Lunac 10-98	HMDB
Prifac 2906	HMDB
Prifac 296	HMDB
Decanoic acid, sodium salt	HMDB
Sodium caprate	HMDB
Sodium decanoate	HMDB
FA(10:0)	HMDB
17-(3,5-Dihydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,7,12-triol	HMDB

Chemical Formula

C₂₇H₄₈O₅

Average Mass

452.6670 Da

Monoisotopic Mass

452.35017 Da

IUPAC Name

(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol

Traditional Name

(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](O)CC(C)(C)O

InChI Identifier

InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChI Key

OXSBBBPDYVCAKC-DYGXNTOZSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-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 Framework

Aliphatic acyclic compounds

External Descriptors

medium-chain fatty acid (CHEBI:30813 )
straight-chain saturated fatty acid (CHEBI:30813 )
Straight chain fatty acids (C01571 )
Saturated fatty acids (C01571 )
Straight chain fatty acids (LMFA01010010 )

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	2.33	ALOGPS
logP	2.05	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	14.93	ChemAxon
pKa (Strongest Basic)	-0.16	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	101.15 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	126.34 m³·mol⁻¹	ChemAxon
Polarizability	53.9 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0000511

DrugBank ID

DB03600

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Decanoic acid

METLIN ID

336

PubChem Compound

2969

PDB ID

Not Available

ChEBI ID

30813

Good Scents ID

Not Available

References

General References

Guardia P, Perez-Juste J, Labarta A, Batlle X, Liz-Marzan LM: Heating rate influence on the synthesis of iron oxide nanoparticles: the case of decanoic acid. Chem Commun (Camb). 2010 Sep 7;46(33):6108-10. doi: 10.1039/c0cc01179g. Epub 2010 Jul 26. [PubMed:20661498 ]
Huang WC, Tsai TH, Chuang LT, Li YY, Zouboulis CC, Tsai PJ: Anti-bacterial and anti-inflammatory properties of capric acid against Propionibacterium acnes: a comparative study with lauric acid. J Dermatol Sci. 2014 Mar;73(3):232-40. doi: 10.1016/j.jdermsci.2013.10.010. Epub 2013 Nov 7. [PubMed:24284257 ]
Ozturk M, Gecgel U, Duran A, Uslu N, Ozcan MM: The fatty acid compositions of several plant seed oils belong to Leguminosae and Umbelliferae families. Environ Monit Assess. 2014 May;186(5):2795-9. doi: 10.1007/s10661-013-3580-x. Epub 2013 Dec 20. [PubMed:24357269 ]

Showing NP-Card for 5b-Cholestane-3a,7a,12a,23R,25-pentol (NP0086599)

MOL for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

3D MOL for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

3D SDF for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

3D-SDF for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

PDB for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

3D PDB for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

SMILES for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

INCHI for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

Structure for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)

3D Structure for NP0086599 (5b-Cholestane-3a,7a,12a,23R,25-pentol)