NP-MRD: Showing NP-Card for (2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid (NP0292281)

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Record Information

Version

2.0

Created at

2022-09-09 23:44:19 UTC

Updated at

2022-09-09 23:44:19 UTC

NP-MRD ID

NP0292281

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid

Description

Thr-Thr-Asp, also known as L-THR-L-THR-L-asp or T-T-D, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Thr-Thr-Asp is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid is found in Trypanosoma brucei. (2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid was first documented in 2010 (PMID: 20877231). Based on a literature review very few articles have been published on Thr-Thr-Asp.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 43  0  0  0  0  0  0  0  0999 V2000
    0.7820    1.4164   -1.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150    0.1256   -1.6043 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8413   -0.8876   -2.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3005   -0.1730   -0.1241 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1278    0.8745    0.3262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3572    0.8465    0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    2.0626    1.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2861   -0.2949    0.4364 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7404   -0.7860    1.7347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4980    0.1336   -0.4141 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4018   -1.0534   -0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1878    1.1558    0.2638 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9787   -0.2789    0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9297   -0.4574    1.9927 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759   -0.2065    0.0200 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3827   -0.2927    0.6205 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3301   -0.8449   -0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6984   -0.9824    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0070   -1.9382    0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6665   -0.0669   -0.2774 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9169    1.0457    1.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0499    1.1178    1.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212    2.2236    0.8082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3592    2.0943   -2.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347    1.9890   -0.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8607    1.2438   -1.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497    0.1797   -2.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7201   -1.7425   -1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251   -1.1450   -0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1658    2.1417    1.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859   -1.1259   -0.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0977   -0.3661    2.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6464   -1.8270    1.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170    0.5730   -1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4543   -0.6865   -0.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2038   -1.4328   -1.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1738   -1.8018    0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3567    0.8013    1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154   -1.2539    2.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3775   -0.9393    1.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8941   -1.8082   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2543   -0.1467   -1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5550    0.0625    0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.4509    1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10 12  1  0
 10  8  1  0
  8  9  1  0
  8  6  1  0
  6  7  1  0
  6  5  2  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  1  0
  4 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
 16 21  1  0
 21 23  1  0
 21 22  2  0
 11 35  1  0
 11 36  1  0
 11 37  1  0
 10 34  1  6
 12 38  1  0
  8 31  1  6
  9 32  1  0
  9 33  1  0
  7 30  1  0
  4 29  1  6
  2 27  1  6
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 28  1  0
 14 39  1  0
 16 40  1  1
 17 41  1  0
 17 42  1  0
 20 43  1  0
 23 44  1  0
M  END


  Mrv1652309102201442D          

 23 22  0  0  1  0            999 V2000
   -2.3349   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -3.1895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6204   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -3.6020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9059   -4.4270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -3.6020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -3.1895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2375   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -3.6020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6664   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -4.4270    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  1  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  4  0  0  0
  6  8  2  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  4  0  0  0
 10 12  2  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0292281

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H21N3O8/c1-4(16)8(13)10(20)15-9(5(2)17)11(21)14-6(12(22)23)3-7(18)19/h4-6,8-9,16-17H,3,13H2,1-2H3,(H,14,21)(H,15,20)(H,18,19)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1

> <INCHI_KEY>
YRJOLUDFVAUXLI-GSSVUCPTSA-N

> <FORMULA>
C12H21N3O8

> <MOLECULAR_WEIGHT>
335.313

> <EXACT_MASS>
335.132864648

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
31.03999659371441

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(2S,3R)-2-{[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid

> <JCHEM_LOGP>
-4.452051019642889

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.2469628614110215

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5695392829017227

> <JCHEM_PKA_STRONGEST_BASIC>
9.078018171262027

> <JCHEM_POLAR_SURFACE_AREA>
206.25999999999996

> <JCHEM_REFRACTIVITY>
74.09590000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S,3R)-2-{[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.358  -6.724   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.025  -5.954   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -3.025  -4.414   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -1.691  -6.724   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -1.691  -8.264   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -0.357  -5.954   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.357  -4.414   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       0.976  -6.724   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       2.310  -5.954   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.310  -4.414   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.976  -3.644   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       3.644  -3.644   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       3.644  -2.104   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.310  -1.334   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.310   0.206   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.976   0.976   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       3.644   0.976   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.977  -1.334   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.977   0.206   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.311  -2.104   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.644  -6.724   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.977  -5.954   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.644  -8.264   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   21                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    9   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
L-THR-L-THR-L-Asp	ChEBI
T-T-D	ChEBI
TTD	ChEBI

Chemical Formula

C₁₂H₂₁N₃O₈

Average Mass

335.3130 Da

Monoisotopic Mass

335.13286 Da

IUPAC Name

(2S)-2-{[(2S,3R)-2-{[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid

Traditional Name

(2S)-2-{[(2S,3R)-2-{[(2S,3R)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C12H21N3O8/c1-4(16)8(13)10(20)15-9(5(2)17)11(21)14-6(12(22)23)3-7(18)19/h4-6,8-9,16-17H,3,13H2,1-2H3,(H,14,21)(H,15,20)(H,18,19)(H,22,23)/t4-,5-,6+,8+,9+/m1/s1

InChI Key

YRJOLUDFVAUXLI-GSSVUCPTSA-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

Species Name	Source	Reference
Trypanosoma brucei	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Aspartic acid or derivatives
N-acyl-l-alpha-amino acid
Acyl-l-homoserine
Acyl-homoserine
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid
Hydrocarbon derivative
Primary aliphatic amine
Organic nitrogen compound
Organic oxide
Carbonyl group
Alcohol
Amine
Organic oxygen compound
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tripeptide (CHEBI:73659 )

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	-4.5	ChemAxon
pKa (Strongest Acidic)	2.57	ChemAxon
pKa (Strongest Basic)	9.08	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	206.26 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	74.1 m³·mol⁻¹	ChemAxon
Polarizability	31.04 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

29368067

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71728364

PDB ID

Not Available

ChEBI ID

73659

Good Scents ID

Not Available

References

General References

Liu M, Hamilton DW, Barany G: Solid-phase synthesis and evaluation of glycopeptide fragments from rat epididymal cysteine-rich secretory protein-1 (Crisp-1). Molecules. 2010 Sep 14;15(9):6399-410. doi: 10.3390/molecules15096399. [PubMed:20877231 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid (NP0292281)

MOL for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

3D MOL for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

3D SDF for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

3D-SDF for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

PDB for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

3D PDB for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

SMILES for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

INCHI for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

Structure for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)

3D Structure for NP0292281 ((2s)-2-{[(2s,3r)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}butanedioic acid)