NP-MRD: Showing NP-Card for (1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid (NP0248080)

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Record Information

Version

2.0

Created at

2022-09-07 10:11:40 UTC

Updated at

2022-09-07 10:11:41 UTC

NP-MRD ID

NP0248080

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid

Description

(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Based on a literature review very few articles have been published on (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 50  0  0  0  0  0  0  0  0999 V2000
    7.1596    0.4463   -1.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8334   -0.0016    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515    0.4538    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590   -0.1406   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0327    0.2289    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5931   -0.2114    1.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693    0.2023    1.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2315   -0.3942    0.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1956    0.0548    0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0585   -0.5877   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5174   -0.2760    0.0099 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0342   -0.7353    1.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8092   -1.7172    1.3531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7022   -0.1316    2.5037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2691   -0.8915   -1.1597 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1428   -2.2887   -1.1744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7212   -0.4852   -1.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8307    0.9736   -1.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0090    1.5527   -2.2603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7468    1.7994   -0.0424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6723   -0.4042   -2.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2656   -1.2087   -3.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5505    0.9383   -2.6977 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5987    1.3266   -1.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952   -0.3787   -1.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2348    0.6921   -1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8038   -1.1124    0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6156    0.2839    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3283    0.1337    1.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4600    1.5793    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6049   -1.2488   -0.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7272    0.1814   -1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4007   -0.3035   -0.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416    1.3277    0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2049    0.2718    2.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -1.3095    1.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.3076    1.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610   -0.1869    2.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2349   -1.5056    0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4181   -0.1169   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4738   -0.1378    2.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105    1.1639    0.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6330   -0.3092   -1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -1.6949    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6230    0.8309   -0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4664    0.3223    3.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6106   -2.6332   -0.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2529   -0.9764   -1.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2465   -0.8426   -0.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4433    1.6527    0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7539    1.5020   -2.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 14  1  0
 12 13  2  0
 11 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
 15 21  1  0
 21 23  1  0
 21 22  2  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  1
 14 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 20 50  1  0
 23 51  1  0
M  END


  Mrv1652309072212112D          

 23 22  0  0  1  0            999 V2000
   -3.4374   -5.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6592   -5.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547   -5.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -6.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1498   -5.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -6.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544   -6.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -6.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9589   -6.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5852   -6.8271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4334   -7.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0597   -8.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -7.9120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3634   -6.5532    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6373   -7.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1416   -6.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7679   -6.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5461   -6.5423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6161   -7.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0895   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2786   -5.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6264   -5.1487    0.0000 O   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
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0248080

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCC[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/m1/s1

> <INCHI_KEY>
DQIHPEKINXOMBM-WBMJQRKESA-N

> <FORMULA>
C16H28O7

> <MOLECULAR_WEIGHT>
332.393

> <EXACT_MASS>
332.183503242

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
36.037046413683186

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid

> <JCHEM_LOGP>
3.2214168113333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
5.1263504185031135

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5616115611820254

> <JCHEM_PKA_STRONGEST_BASIC>
-4.264258868214562

> <JCHEM_POLAR_SURFACE_AREA>
132.13000000000002

> <JCHEM_REFRACTIVITY>
81.60739999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.416 -10.289   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.964  -9.778   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.795 -10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.342 -10.269   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.173 -11.271   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.280 -10.760   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.449 -11.762   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.901 -11.251   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.071 -12.253   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.523 -11.742   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.692 -12.744   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.409 -14.258   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.578 -15.260   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       4.956 -14.769   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.145 -12.233   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.656 -13.685   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.598 -11.721   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.767 -12.724   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      12.219 -12.212   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      10.483 -14.237   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.634 -10.780   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.120 -10.497   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.636  -9.611   0.000  0.00  0.00           O+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   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11   16   17   21                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   15   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate	ChEBI

Chemical Formula

C₁₆H₂₈O₇

Average Mass

332.3930 Da

Monoisotopic Mass

332.18350 Da

IUPAC Name

(1S,2S)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid

Traditional Name

(1S,2S)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCC[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/m1/s1

InChI Key

DQIHPEKINXOMBM-WBMJQRKESA-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, 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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Hydroxy acid
Alpha-hydroxy acid
Tertiary alcohol
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tricarboxylic acid (CHEBI:15608 )
Dicarboxylic acids (LMFA01170074 )

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	3.22	ChemAxon
pKa (Strongest Acidic)	3.56	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	132.13 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	81.61 m³·mol⁻¹	ChemAxon
Polarizability	36.04 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

4572411

KEGG Compound ID

C04655

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5458468

PDB ID

Not Available

ChEBI ID

15608

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid (NP0248080)

MOL for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

3D MOL for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

3D SDF for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

3D-SDF for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

PDB for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

3D PDB for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

SMILES for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

INCHI for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

Structure for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)

3D Structure for NP0248080 ((1s,2s)-1-decyl-2-hydroxypropane-1,2,3-tricarboxylic acid)