NP-MRD: Showing NP-Card for (3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol (NP0049412)

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Record Information

Version

2.0

Created at

2022-03-17 21:12:08 UTC

Updated at

2022-03-17 21:12:08 UTC

NP-MRD ID

NP0049412

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol

Description

Alpha-Tocopherol acetate, also known as a-tocopherol acetic acid or D-vitamin e acetate, belongs to the class of organic compounds known as vitamin e compounds. These are a group of fat-soluble compounds containing or derived either from a tocopherol or a tocotrienol skeleton. (3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol was first documented in 1973 (PMID: 4704893). Alpha-Tocopherol acetate is an extremely weak basic (essentially neutral) compound (based on its pKa) (PMID: 16902246) (PMID: 15285507).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241218112D          

 30 33  0  0  0  0            999 V2000
   -3.6044   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6044   -1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902   -2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773   -1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902   -0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386   -0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386    0.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    0.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630    0.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3202   -2.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386    0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261    1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    2.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888    1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3202    1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  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
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END


  Mrv0541 02241218112D          

 30 33  0  0  0  0            999 V2000
   -3.6044   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6044   -1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902   -2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773   -1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902   -0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -1.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386   -0.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386    0.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    0.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630    0.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3202   -2.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773   -0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386    0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0261    1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    2.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888    1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1731    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    1.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3202    1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    0.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  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
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0049412

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

> <INCHI_IDENTIFIER>
InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3

> <INCHI_KEY>
FHSVMYDBGPVTTJ-UHFFFAOYSA-N

> <FORMULA>
C27H48O3

> <MOLECULAR_WEIGHT>
420.6682

> <EXACT_MASS>
420.360345402

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
52.2792207441722

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-6-methylheptane-3,4-diol

> <ALOGPS_LOGP>
4.79

> <JCHEM_LOGP>
5.134800108

> <ALOGPS_LOGS>
-5.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.23121629238912

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.762946941106527

> <JCHEM_PKA_STRONGEST_BASIC>
-1.356956249141366

> <JCHEM_POLAR_SURFACE_AREA>
60.69

> <JCHEM_REFRACTIVITY>
122.72049999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.31e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-6-methylheptane-3,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -6.728  -2.157   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.728  -3.698   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.395  -4.469   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.064  -3.698   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.064  -2.157   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.395  -1.389   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.731  -4.469   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.400  -3.698   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.400  -2.157   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.731  -1.389   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.072  -1.389   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.072   0.145   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.400   0.911   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.731   0.145   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.385  -1.861   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.281  -0.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.385   0.615   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -8.064  -4.469   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.064  -0.615   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.072   1.687   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.385   2.157   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.049   2.927   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.721   2.927   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.056   2.157   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.721   4.469   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.392   2.927   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.056   0.615   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.728   2.157   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.064   2.927   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.728   0.615   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                                                  
CONECT    5    4    6   10   19                                             
CONECT    6    1    5                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    5    9   14                                                  
CONECT   11    9   12   15                                                  
CONECT   12   11   13   17   20                                             
CONECT   13   12   14                                                       
CONECT   14   10   13                                                       
CONECT   15   11   16                                                       
CONECT   16   15   17                                                       
CONECT   17   12   16   21                                                  
CONECT   18    2                                                            
CONECT   19    5                                                            
CONECT   20   12                                                            
CONECT   21   17   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23   26   27                                                  
CONECT   25   23                                                            
CONECT   26   24   28                                                       
CONECT   27   24                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END

View in JSmol

Synonyms

Value	Source
a-Tocopherol acetate	Generator
a-Tocopherol acetic acid	Generator
alpha-Tocopherol acetic acid	Generator
Α-tocopherol acetate	Generator
Α-tocopherol acetic acid	Generator
(+)-alpha -Tocopherol acetate	HMDB
(+)-alpha -Tocopheryl acetate	HMDB
(+)-alpha-Tocopherol acetate	HMDB
(+)-alpha-Tocopheryl acetate	HMDB
(+-)-alpha-Tocopherol acetate	HMDB
(2R,4'r,8'r)-alpha-Tocopherol acetate	HMDB
(2R,4'r,8'r)-alpha-Tocopheryl acetate	HMDB
(R,R,R)-alpha-Tocopheryl acetate	HMDB
Alfacol	HMDB
all-rac-alpha-Tocopheryl acetate	HMDB
alpha -Tocopherol acetate	HMDB
alpha -Tocopheryl acetate	HMDB
alpha-Tocopherol acetate, all rac	HMDB
alpha-Tocopheryl acetate	HMDB
Combinal e	HMDB
Contopheron	HMDB
Copherol 1250	HMDB
Covitol 1100	HMDB
Covitol 1360	HMDB
D,L-alpha-Tocopheryl acetate	HMDB
D-alpha -Tocopherol acetate	HMDB
D-alpha -Tocopheryl acetate	HMDB
D-alpha-Tocopherol acetate	HMDB
D-alpha-Tocopheryl acetate	HMDB
D-Vitamin e acetate	HMDB
DL-alpha Tocopheryl acetate	HMDB
DL-alpha-Tocopherol acetate	HMDB
DL-alpha-Tocopheryl acetate	HMDB
e-Ferol	HMDB
e-Toplex	HMDB
e-Vicotrat	HMDB
Ecofrol	HMDB
ECON	HMDB
endo e Dompe	HMDB
Ephynal acetate	HMDB
Epsilan-m	HMDB
Erevit	HMDB
Fertilvit	HMDB
Gevex	HMDB
Juvela	HMDB
O-Acetyl-alpha-tocopherol	HMDB
Rovimix e 50Sd	HMDB
Spondyvit	HMDB
Syntopherol acetate	HMDB
Tocopherex	HMDB
Tocopherol acetate	HMDB
Tocopherol acetate (JP15)	HMDB
Tocopheryl acetate	HMDB
Tocophrin	HMDB
Tofaxin	HMDB
Tokoferol acetate	HMDB
Vectan	HMDB
Vitamin e acetate	HMDB
Vitamin e acetate DL-form	HMDB
Vitamin e acetate, ((2R(4R,8R*))-(+-))-isomer	HMDB
Vitamin e acetate, (2R-(2R(4R,8R*)))-isomer	HMDB
Vitamin ealpha acetate	HMDB
D alpha Tocopheryl acetate	MeSH
alpha Tocopherol acetate	MeSH
alpha-Tocopheryl calcium succinate	MeSH
alpha Tocopheryl calcium succinate	MeSH
D alpha Tocopherol	MeSH
Tocopherol, D-alpha	MeSH
D-alpha Tocopherol	MeSH
alpha-Tocopherol	MeSH
alpha Tocopherol hemisuccinate	MeSH
Acetate, tocopherol	MeSH
alpha Tocopherol	MeSH
alpha-Tocopherol succinate	MeSH
Vitamin e succinate	MeSH
R,R,R-alpha-Tocopherol	MeSH
alpha-Tocopherol hemisuccinate	MeSH
3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol	MeSH
Tocopherol succinate	MeSH
alpha Tocopherol succinate	MeSH
6-deoxo-28-Nortyphasterol	HMDB
(3a,5a,22R,23R)-Cholestane-3,22,23-triol	Generator
(3Α,5α,22R,23R)-cholestane-3,22,23-triol	Generator

Chemical Formula

C₂₇H₄₈O₃

Average Mass

420.6682 Da

Monoisotopic Mass

420.36035 Da

IUPAC Name

2-{5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-6-methylheptane-3,4-diol

Traditional Name

2-{5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-6-methylheptane-3,4-diol

CAS Registry Number

378795-16-5

SMILES

CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

InChI Identifier

InChI=1S/C27H48O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-25,28-30H,6-15H2,1-5H3

InChI Key

FHSVMYDBGPVTTJ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Solanum lycopersicum	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as vitamin e compounds. These are a group of fat-soluble compounds containing or derived either from a tocopherol or a tocotrienol skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Vitamin E compounds

Alternative Parents

Substituents

Diterpenoid
Chromane
Benzopyran
1-benzopyran
Alkyl aryl ether
Benzenoid
Carboxylic acid ester
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Ether
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	4.79	ALOGPS
logP	5.13	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	13.76	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	60.69 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	122.72 m³·mol⁻¹	ChemAxon
Polarizability	52.28 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0034227

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB012538

KNApSAcK ID

Not Available

Chemspider ID

2033

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

2117

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

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 ]
Cortinas L, Villaverde C, Galobart J, Baucells MD, Codony R, Barroeta AC: Fatty acid content in chicken thigh and breast as affected by dietary polyunsaturation level. Poult Sci. 2004 Jul;83(7):1155-64. doi: 10.1093/ps/83.7.1155. [PubMed:15285507 ]
Unger WP, Nethercott JR: Epidermolysis bullosa dystrophica treated with vitamin E and oral corticosteroids. Can Med Assoc J. 1973 May 5;108(9):1136-8. [PubMed:4704893 ]

Showing NP-Card for (3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol (NP0049412)

MOL for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

3D MOL for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

3D SDF for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

3D-SDF for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

PDB for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

3D PDB for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

SMILES for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

INCHI for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

Structure for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)

3D Structure for NP0049412 ((3alpha,5alpha,22R,23R)-Cholestane-3,22,23-triol)