MiMeDB: Showing metabocard for undecaprenyl phosphate-4-amino-4-deoxy-L-arabinose (MMDBc0031676)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:43:56 UTC

Update Date

2022-08-31 18:23:00 UTC

Metabolite ID

MMDBc0031676

Metabolite Identification

Common Name

undecaprenyl phosphate-4-amino-4-deoxy-L-arabinose

Description

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 10101207482D          

 69 69  0  0  1  0            999 V2000
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    5.7158   22.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 10101207482D          

 69 69  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
MMDBc0031676

> <DATABASE_NAME>
MIME

> <SMILES>
N[C@H]1CO[C@@H](OP(=O)(O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C60H100NO7P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-67-69(64,65)68-60-59(63)58(62)57(61)45-66-60/h23,25,27,29,31,33,35,37,39,41,43,57-60,62-63H,13-22,24,26,28,30,32,34,36,38,40,42,44-45,61H2,1-12H3,(H,64,65)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60-/m0/s1

> <INCHI_KEY>
BAFPKKRTAQMYMS-MEKAZKDWSA-N

> <FORMULA>
C60H100NO7P

> <MOLECULAR_WEIGHT>
978.4123

> <EXACT_MASS>
977.723741071

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
118.54630570450111

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2S,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy}({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphinic acid

> <ALOGPS_LOGP>
8.81

> <JCHEM_LOGP>
14.793951727666792

> <ALOGPS_LOGS>
-6.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.364365692729507

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5775303985310858

> <JCHEM_PKA_STRONGEST_BASIC>
8.789781919325286

> <JCHEM_POLAR_SURFACE_AREA>
131.47

> <JCHEM_REFRACTIVITY>
304.11779999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
35

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.27e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2S,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxyphosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-OCT-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-OCT-12         0                                  
HETATM    1  C   UNK     0      12.003  42.350   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  41.580   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  42.350   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002  41.580   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  42.350   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  41.580   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  42.350   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  41.580   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  42.350   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  41.580   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  42.350   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667  41.580   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667  40.040   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001  39.270   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001  37.730   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667  36.960   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.667  35.420   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.001  34.650   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  33.110   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667  32.340   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334  33.110   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000  32.340   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  30.800   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.334  30.030   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.334  28.490   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.667  27.720   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667  26.180   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.334  25.410   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.334  23.870   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.000  23.100   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.000  21.560   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.334  20.790   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.334  19.250   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.667  18.480   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -2.667  16.940   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.334  16.170   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.334  14.630   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.000  13.860   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.000  12.320   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -1.334  11.550   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -1.334  10.010   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -2.667   7.700   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -1.334   5.390   0.000  0.00  0.00           O+0
HETATM   46  P   UNK     0       0.000   4.620   0.000  0.00  0.00           P+0
HETATM   47  O   UNK     0      -0.770   3.286   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0       0.770   5.954   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   56  N   UNK     0       1.334  -2.310   0.000  0.00  0.00           N+0
HETATM   57  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0      -4.001  10.010   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       1.334  14.630   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      -4.001  19.250   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       1.334  23.870   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      -4.001  28.490   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       1.334  33.110   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      -5.335  35.420   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      -5.335  40.040   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0       0.000  40.040   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0       5.335  40.040   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      10.669  40.040   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   69                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   68                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   67                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   66                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   65                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   64                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   63                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   62                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   61                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   60                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   59                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   48   49                                             
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   46   50                                                       
CONECT   50   49   51   55                                                  
CONECT   51   50   52   58                                                  
CONECT   52   51   53   57                                                  
CONECT   53   52   54   56                                                  
CONECT   54   53   55                                                       
CONECT   55   54   50                                                       
CONECT   56   53                                                            
CONECT   57   52                                                            
CONECT   58   51                                                            
CONECT   59   42                                                            
CONECT   60   38                                                            
CONECT   61   34                                                            
CONECT   62   30                                                            
CONECT   63   26                                                            
CONECT   64   22                                                            
CONECT   65   18                                                            
CONECT   66   14                                                            
CONECT   67   10                                                            
CONECT   68    6                                                            
CONECT   69    2                                                            
MASTER        0    0    0    0    0    0    0    0   69    0  138    0
END

Synonyms

Value	Source
4-Amino-4-deoxy-alpha-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphate	ChEBI
4-Amino-4-deoxy-alpha-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphate zwitterion	ChEBI
4-Azaniumyl-4-deoxy-alpha-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphate	ChEBI
4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate	Kegg
4-Amino-4-deoxy-a-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphate	Generator
4-Amino-4-deoxy-a-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphoric acid	Generator
4-Amino-4-deoxy-alpha-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphoric acid	Generator
4-Amino-4-deoxy-α-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphate	Generator
4-Amino-4-deoxy-α-L-arabinopyranosyl di-trans,octa-cis-undecaprenyl phosphoric acid	Generator
4-Amino-4-deoxy-a-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphate zwitterion	Generator
4-Amino-4-deoxy-a-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphoric acid zwitterion	Generator
4-Amino-4-deoxy-alpha-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphoric acid zwitterion	Generator
4-Amino-4-deoxy-α-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphate zwitterion	Generator
4-Amino-4-deoxy-α-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphoric acid zwitterion	Generator
4-Azaniumyl-4-deoxy-a-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphate	Generator
4-Azaniumyl-4-deoxy-a-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphoric acid	Generator
4-Azaniumyl-4-deoxy-alpha-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphoric acid	Generator
4-Azaniumyl-4-deoxy-α-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphate	Generator
4-Azaniumyl-4-deoxy-α-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphoric acid	Generator
4-Amino-4-deoxy-a-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate	Generator
4-Amino-4-deoxy-a-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphoric acid	Generator
4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphoric acid	Generator
4-Amino-4-deoxy-α-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphate	Generator
4-Amino-4-deoxy-α-L-arabinopyranosyl ditrans,octacis-undecaprenyl phosphoric acid	Generator
Undecaprenyl phosphoric acid-4-amino-4-deoxy-L-arabinose	Generator
4-Amino-4-deoxy-a-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate zwitterion	Generator
4-Amino-4-deoxy-a-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphoric acid zwitterion	Generator
4-Amino-4-deoxy-alpha-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphoric acid zwitterion	Generator
4-Amino-4-deoxy-α-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphate zwitterion	Generator
4-Amino-4-deoxy-α-L-arabinopyranosyl ditrans,polycis-undecaprenyl phosphoric acid zwitterion	Generator

Molecular Formula

C₆₀H₁₀₀NO₇P

Average Mass

978.4123

Monoisotopic Mass

977.723741071

IUPAC Name

{[(2S,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy}({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphinic acid

Traditional Name

[(2S,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxyphosphinic acid

CAS Registry Number

Not Available

SMILES

N[C@H]1CO[C@@H](OP(=O)(O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C60H100NO7P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-67-69(64,65)68-60-59(63)58(62)57(61)45-66-60/h23,25,27,29,31,33,35,37,39,41,43,57-60,62-63H,13-22,24,26,28,30,32,34,36,38,40,42,44-45,61H2,1-12H3,(H,64,65)/b47-25+,48-27+,49-29-,50-31-,51-33-,52-35-,53-37-,54-39-,55-41-,56-43-/t57-,58-,59+,60-/m0/s1

InChI Key

BAFPKKRTAQMYMS-MEKAZKDWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bactoprenol monophosphates. These are polyprenyl compounds consisting of a monophosphate group substituted by a bactoprenyl moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Polyprenols

Direct Parent

Bactoprenol monophosphates

Alternative Parents

Substituents

Polyterpenoid
Bactoprenol monophosphate
Polyprenyl monophosphate
Isoprenoid phosphate
Dialkyl phosphate
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Alkyl phosphate
1,2-aminoalcohol
1,2-diol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Primary aliphatic amine
Organopnictogen compound
Amine
Alcohol
Organic zwitterion
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

polyprenyl glycosyl phosphate (CHEBI:60472 )
Bactoprenol monophosphates (C16157 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00063 g/L	ALOGPS
logP	8.81	ALOGPS
logP	14.79	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Acidic)	1.58	ChemAxon
pKa (Strongest Basic)	8.79	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	131.47 Å²	ChemAxon
Rotatable Bond Count	35	ChemAxon
Refractivity	304.12 m³·mol⁻¹	ChemAxon
Polarizability	118.55 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-0100000894-a62e4dc8a103905f4d8c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-0120111910-e5be9e4a54da58d44c1e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000b-2221111941-6925e6aa7771c0cfc240	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00b9-9120000035-8d6d886c52b836b2e088	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004r-9110000110-cb3862fc766b0b27c830	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-2332a6d3e0faeea8875c	2015-09-15	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C16157

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44229075

PDB ID

Not Available

ChEBI ID

60463

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Winder CL, Dunn WB, Schuler S, Broadhurst D, Jarvis R, Stephens GM, Goodacre R: Global metabolic profiling of Escherichia coli cultures: an evaluation of methods for quenching and extraction of intracellular metabolites. Anal Chem. 2008 Apr 15;80(8):2939-48. doi: 10.1021/ac7023409. Epub 2008 Mar 11. [PubMed:18331064 ]

Showing metabocard for undecaprenyl phosphate-4-amino-4-deoxy-L-arabinose (MMDBc0031676)

MOL for #<Metabolite:0x00007f46bc00d958>

3D MOL for #<Metabolite:0x00007f46bc00d958>

3D SDF for #<Metabolite:0x00007f46bc00d958>

3D-SDF for #<Metabolite:0x00007f46bc00d958>

PDB for #<Metabolite:0x00007f46bc00d958>

3D PDB for #<Metabolite:0x00007f46bc00d958>

SMILES for #<Metabolite:0x00007f46bc00d958>

INCHI for #<Metabolite:0x00007f46bc00d958>

Structure for #<Metabolite:0x00007f46bc00d958>

3D Structure for #<Metabolite:0x00007f46bc00d958>