MiMeDB: Showing metabocard for LPA(18:1(9Z)/0:0) (MMDBc0032030)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:59:20 UTC

Update Date

2022-08-31 18:27:35 UTC

Metabolite ID

MMDBc0032030

Metabolite Identification

Common Name

LPA(18:1(9Z)/0:0)

Description

NULL

Structure

MOL SDF PDB SMILES InChI

  Mrv0541 02231221472D          

 30 29  0  0  1  0            999 V2000
    9.2142   -8.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8892   -8.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5644   -8.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390   -8.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2395   -8.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4161   -9.4040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015   -9.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1345   -8.6244    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -9.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1345   -7.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1229   -9.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1001   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3856   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6711   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9567   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2422   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5277   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8132   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0987   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3843   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6698   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9553   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2409   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8119   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0974   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3829   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6685   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540   -7.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  1  0  0  0
  2  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
  5 29  1  0  0  0  0
M  END

  Mrv0541 02231221472D          

 30 29  0  0  1  0            999 V2000
    9.2142   -8.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8892   -8.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5644   -8.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390   -8.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2395   -8.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4161   -9.4040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3015   -9.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1345   -8.6244    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -9.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1345   -7.5244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1229   -9.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1001   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3856   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6711   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9567   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2422   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5277   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8132   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0987   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3843   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6698   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9553   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2409   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8119   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0974   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3829   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6685   -8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540   -8.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540   -7.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  1  0  0  0
  2  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
  5 29  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0032030

> <DATABASE_NAME>
MIME

> <SMILES>
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP(O)(=O)O

> <INCHI_IDENTIFIER>
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1

> <INCHI_KEY>
WRGQSWVCFNIUNZ-GDCKJWNLSA-N

> <FORMULA>
C21H41O7P

> <MOLECULAR_WEIGHT>
436.5198

> <EXACT_MASS>
436.258990178

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
49.155153434673906

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid

> <ALOGPS_LOGP>
4.69

> <JCHEM_LOGP>
5.485689521666666

> <ALOGPS_LOGS>
-5.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.531115837556447

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.505317785248875

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4039997949880556

> <JCHEM_POLAR_SURFACE_AREA>
113.29000000000002

> <JCHEM_REFRACTIVITY>
115.29899999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.64e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-oleoyl lysophosphatidic acid

> <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      17.200 -15.371   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.460 -16.099   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      19.720 -15.371   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      15.939 -16.099   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      20.980 -16.099   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      19.443 -17.554   0.000  0.00  0.00           O+0
HETATM    7  H   UNK     0      17.363 -17.610   0.000  0.00  0.00           H+0
HETATM    8  P   UNK     0      13.318 -16.099   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0      14.638 -18.116   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      13.318 -14.046   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      11.429 -16.851   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      44.987 -15.329   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      43.653 -16.099   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      42.319 -15.329   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      40.986 -16.099   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      39.652 -15.329   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      38.318 -16.099   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      36.985 -15.329   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      35.651 -16.099   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      34.317 -15.329   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      32.984 -15.329   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      31.650 -16.099   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      30.316 -15.329   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      28.982 -16.099   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      27.649 -15.329   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      26.315 -16.099   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      24.981 -15.329   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      23.648 -16.099   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      22.314 -15.329   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      22.314 -13.789   0.000  0.00  0.00           O+0
CONECT    1    2    4                                                       
CONECT    2    1    3    6    7                                             
CONECT    3    2    5                                                       
CONECT    4    1    8                                                       
CONECT    5    3   29                                                       
CONECT    6    2                                                            
CONECT    7    2                                                            
CONECT    8    9   10   11    4                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8                                                            
CONECT   12   13                                                            
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30    5                                                  
CONECT   30   29                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   58    0
END

Synonyms

Value	Source
1-(9Z-Octadecenoyl)-sn-glycero-3-phosphate	ChEBI
1-O-Oleoyl-sn-glycerol 3-phosphate	ChEBI
1-O-Oleyl-sn-glycerol 3-phosphate	ChEBI
1-Oleoyl lysophosphatidic acid	ChEBI
1-Oleoyl-2-lyso-sn-glycerol 3-phosphatidic acid	ChEBI
1-Oleoyl-sn-glycero-3-phosphate	ChEBI
1-Oleoylglycerol 3-phosphate	ChEBI
1-Oleyl-2-lyso-sn-glycerol 3-phosphatidic acid	ChEBI
1-Oleyl-sn-glycerol 3-phosphate	ChEBI
1-Oleylglycerol 3-phosphate	ChEBI
1-Oleyllysophosphatidic acid	ChEBI
18:1 LPA	ChEBI
LPA 18:1	ChEBI
LPA(18:1(9Z)/0:0)	ChEBI
LPA(18:1)	ChEBI
LPA(18:1/0:0)	ChEBI
LPA(18:1n9/0:0)	ChEBI
LPA(18:1W9/0:0)	ChEBI
LysoPA(18:1(9Z)/0:0)	ChEBI
LysoPA(18:1)	ChEBI
LysoPA(18:1W9/0:0)	ChEBI
Lysophosphatidic acid(18:1)	ChEBI
Lysophosphatidic acid(18:1/0:0)	ChEBI
Lysophosphatidic acid(18:1n9/0:0)	ChEBI
Lysophosphatidic acid(18:1W9/0:0)	ChEBI
Monooleylphosphatidic acid	ChEBI
PA(18:1/0:0)	ChEBI
1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoric acid	Generator
1-O-Oleoyl-sn-glycerol 3-phosphoric acid	Generator
1-O-Oleyl-sn-glycerol 3-phosphoric acid	Generator
1-Oleoyl lysophosphatidate	Generator
1-Oleoyl-2-lyso-sn-glycerol 3-phosphatidate	Generator
1-Oleoyl-sn-glycero-3-phosphoric acid	Generator
1-Oleoylglycerol 3-phosphoric acid	Generator
1-Oleyl-2-lyso-sn-glycerol 3-phosphatidate	Generator
1-Oleyl-sn-glycerol 3-phosphoric acid	Generator
1-Oleylglycerol 3-phosphoric acid	Generator
1-Oleyllysophosphatidate	Generator
Lysophosphatidate(18:1)	Generator
Lysophosphatidate(18:1/0:0)	Generator
Lysophosphatidate(18:1n9/0:0)	Generator
Lysophosphatidate(18:1W9/0:0)	Generator
Monooleylphosphatidate	Generator
1-O-Oleyllysophosphatidic acid	MeSH
9-Octadecenoic acid (9Z)-, 2-hydroxy-3-(phosphonooxy)propyl ester	MeSH
1-Oleoyl-lyso-phosphatidic acid	MeSH
Monooleylphosphatidic acid, sodium salt, (R)-isomer	MeSH
1-Oleoyl-lysophosphatidic acid	MeSH
LPA (lysophosphatidic acid)	MeSH
Lysophosphatidic acid	MeSH
Monooleylphosphatidic acid, (R)-isomer	MeSH
MOPA	MeSH

Molecular Formula

C₂₁H₄₁O₇P

Average Mass

436.5198

Monoisotopic Mass

436.258990178

IUPAC Name

[(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid

Traditional Name

1-oleoyl lysophosphatidic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@](O)([H])COP(O)(=O)O

InChI Identifier

InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1

InChI Key

WRGQSWVCFNIUNZ-GDCKJWNLSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-05n0-1664900000-148c650ac3bceb4b152c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0ap0-3962100000-1a33e6ed4c6ff2881be4	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0avr-7790000000-f51fa6e6693ad7c3d713	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-01s9-4190400000-e613f5b69c617ba039f4	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9050000000-939e9b478cb01e4cdf3b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-5a4a918141c40ba8ca5d	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Host Biospecimen and Location

External Links

References

Showing metabocard for LPA(18:1(9Z)/0:0) (MMDBc0032030)

MOL for #<Metabolite:0x0000562307205aa0>

3D MOL for #<Metabolite:0x0000562307205aa0>

3D SDF for #<Metabolite:0x0000562307205aa0>

3D-SDF for #<Metabolite:0x0000562307205aa0>

PDB for #<Metabolite:0x0000562307205aa0>

3D PDB for #<Metabolite:0x0000562307205aa0>

SMILES for #<Metabolite:0x0000562307205aa0>

INCHI for #<Metabolite:0x0000562307205aa0>

Structure for #<Metabolite:0x0000562307205aa0>

3D Structure for #<Metabolite:0x0000562307205aa0>