NP-MRD: Showing NP-Card for [(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium (NP0203267)

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Record Information

Version

2.0

Created at

2022-09-04 22:41:03 UTC

Updated at

2022-09-04 22:41:03 UTC

NP-MRD ID

NP0203267

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium

Description

[(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-{[(4E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. [(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium is found in Heterospora chenopodii. Based on a literature review very few articles have been published on [(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-{[(4E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052200412D          

 37 36  0  0  1  0            999 V2000
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9526   10.2829    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  CHG  1  34   1
M  END

     RDKit          3D

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  2  3  1  0
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  6  7  1  0
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 36 88  1  0
 37 89  1  0
 37 90  1  0
 37 91  1  0
M  CHG  1  34   1
M  END


  Mrv1652309052200412D          

 37 36  0  0  1  0            999 V2000
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   11.9842    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8092    4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    5.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    5.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237    6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    6.5704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9526    6.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    7.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    7.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    8.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671    9.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6671    9.8704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3815   10.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3815   11.1079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0960    9.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526   10.2829    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.3651   10.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5401    9.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381   10.6954    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  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 29  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  CHG  1  34   1
M  END
> <DATABASE_ID>
NP0203267

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCC\C=C(/C)C(=O)C(C)(C)C(=O)OC[C@@H](O)COCC[C@@H](C(O)=O)[N+](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H53NO7/c1-8-9-10-11-12-13-14-15-16-17-18-23(2)26(32)29(3,4)28(35)37-22-24(31)21-36-20-19-25(27(33)34)30(5,6)7/h18,24-25,31H,8-17,19-22H2,1-7H3/p+1/b23-18+/t24-,25-/m0/s1

> <INCHI_KEY>
NXAYEJXOTSDSHG-ODINOTFKSA-O

> <FORMULA>
C29H54NO7

> <MOLECULAR_WEIGHT>
528.75

> <EXACT_MASS>
528.389479503

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
62.44736313820986

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-{[(4E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium

> <JCHEM_LOGP>
2.1564648221949216

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.655915268738589

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.1710968899997476

> <JCHEM_PKA_STRONGEST_BASIC>
-3.386703105746502

> <JCHEM_POLAR_SURFACE_AREA>
110.13

> <JCHEM_REFRACTIVITY>
158.7058

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-{[(4E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       6.573   5.335   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.906   6.105   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.241   6.105   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.243   6.105   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      22.577   5.335   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      22.577   3.795   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      23.910   6.105   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      25.244   5.335   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      23.910   7.645   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      25.450   7.645   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.370   7.645   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.910   9.185   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      22.577   9.955   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      25.244   9.955   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      25.244  11.495   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      26.578  12.265   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      27.912  11.495   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      26.578  13.805   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      27.912  14.575   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      27.912  16.115   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      29.245  16.885   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      29.245  18.425   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      30.579  19.195   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      30.579  20.735   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      31.913  18.425   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0      27.912  19.195   0.000  0.00  0.00           N+1
HETATM   35  C   UNK     0      28.682  20.528   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      27.142  17.861   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      26.578  19.965   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   34                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   30   35   36   37                                             
CONECT   35   34                                                            
CONECT   36   34                                                            
CONECT   37   34                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₅₄NO₇

Average Mass

528.7500 Da

Monoisotopic Mass

528.38948 Da

IUPAC Name

[(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-{[(4E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium

Traditional Name

[(1S)-1-carboxy-3-[(2S)-2-hydroxy-3-{[(4E)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCC\C=C(/C)C(=O)C(C)(C)C(=O)OC[C@@H](O)COCC[C@@H](C(O)=O)[N+](C)(C)C

InChI Identifier

InChI=1S/C29H53NO7/c1-8-9-10-11-12-13-14-15-16-17-18-23(2)26(32)29(3,4)28(35)37-22-24(31)21-36-20-19-25(27(33)34)30(5,6)7/h18,24-25,31H,8-17,19-22H2,1-7H3/p+1/b23-18+/t24-,25-/m0/s1

InChI Key

NXAYEJXOTSDSHG-ODINOTFKSA-O

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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Heterospora chenopodii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Diradylglycerol
1-alkyl,3-acylglycerol
Glycerolipid
Glycerol ether
Short-chain keto acid
Hydroxy fatty acid
Fatty acid ester
Branched fatty acid
Beta-keto acid
Fatty acyl
Alpha-branched alpha,beta-unsaturated-ketone
Keto acid
Dicarboxylic acid or derivatives
Tetraalkylammonium salt
Alpha,beta-unsaturated ketone
Quaternary ammonium salt
Enone
Acryloyl-group
Secondary alcohol
Ketone
Carboxylic acid ester
Ether
Dialkyl ether
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Alcohol
Organic cation
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	2.16	ChemAxon
pKa (Strongest Acidic)	2.17	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	110.13 Å²	ChemAxon
Rotatable Bond Count	23	ChemAxon
Refractivity	158.71 m³·mol⁻¹	ChemAxon
Polarizability	62.45 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78443793

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

118714358

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium (NP0203267)

MOL for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

3D MOL for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

3D SDF for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

3D-SDF for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

PDB for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

3D PDB for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

SMILES for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

INCHI for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

Structure for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)

3D Structure for NP0203267 ([(1s)-1-carboxy-3-[(2s)-2-hydroxy-3-{[(4e)-2,2,4-trimethyl-3-oxohexadec-4-enoyl]oxy}propoxy]propyl]trimethylazanium)