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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:57 UTC

Update Date

2021-09-14 15:45:02 UTC

HMDB ID

HMDB0028908

Secondary Accession Numbers

HMDB28908

Metabolite Identification

Common Name

Isoleucylhydroxyproline

Description

Isoleucylhydroxyproline, also known as i-HP dipeptide or ile-hpro, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Isoleucylhydroxyproline has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make isoleucylhydroxyproline a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Isoleucylhydroxyproline.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0028908
     RDKit          3D
Isoleucylhydroxyproline
 37 37  0  0  0  0  0  0  0  0999 V2000
    2.8994    1.5792    1.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3512    0.7014    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5766   -0.4788    0.7095 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4022   -1.3646    1.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225   -1.3279   -0.4414 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1549   -1.8096   -1.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1514   -0.4148   -1.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277   -0.0501   -2.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067    0.0302   -0.7821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634   -0.3158    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729   -0.6512   -0.0776 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0953   -1.9911   -0.5095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3390    0.2872   -1.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9817    0.9395   -1.4675 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9024    2.2629   -0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052    3.2447   -1.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    2.4525    0.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    1.0246    2.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410    2.3302    1.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    2.2066    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890    0.3129   -0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7163    1.3180   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140   -0.0750    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778   -2.2310    1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6385   -0.8320    2.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033   -1.7285    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5279   -2.2092   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -2.1626   -2.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5277   -2.6729   -0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8049    0.4724    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -1.2038    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9286   -0.5118    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7354   -1.9995   -1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0856    1.0809   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5984   -0.3323   -2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499    0.9928   -2.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396    3.1266    0.9952 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
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14  9  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  1
  4 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  1
  6 28  1  0
  6 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  1
 12 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  6
 17 37  1  0
M  END


  Mrv1652304062013522D          

 17 17  0  0  0  0            999 V2000
10002.1009 9999.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.8128 9999.2054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.100910000.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8095 9997.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.7175 9999.7002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.0502 9999.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3051 9998.4306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.1301 9998.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3850 9999.2152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.717510000.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.432010000.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.574110000.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.288610000.5252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.003110001.7627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.003110000.9377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.2886 9999.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.859710000.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  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
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  4  1  1  0  0  0
  9  1  1  6  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  6  0  0  0
 10 15  1  0  0  0  0
 13 16  1  1  0  0  0
 13 12  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028908

> <DATABASE_NAME>
hmdb

> <SMILES>
CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H20N2O4/c1-3-6(2)9(12)10(15)13-5-7(14)4-8(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)/t6-,7+,8-,9-/m0/s1

> <INCHI_KEY>
IFZSZULHIWFRSB-KZVJFYERSA-N

> <FORMULA>
C11H20N2O4

> <MOLECULAR_WEIGHT>
244.291

> <EXACT_MASS>
244.142307132

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
25.288040552979542

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

> <ALOGPS_LOGP>
-2.17

> <JCHEM_LOGP>
-2.9226897657039785

> <ALOGPS_LOGS>
-0.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.826415665975109

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7509582670679302

> <JCHEM_PKA_STRONGEST_BASIC>
8.499428050553124

> <JCHEM_POLAR_SURFACE_AREA>
103.86

> <JCHEM_REFRACTIVITY>
60.3983

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.83e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028908
     RDKit          3D
Isoleucylhydroxyproline
 37 37  0  0  0  0  0  0  0  0999 V2000
    2.8994    1.5792    1.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3512    0.7014    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5766   -0.4788    0.7095 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4022   -1.3646    1.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225   -1.3279   -0.4414 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1549   -1.8096   -1.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1514   -0.4148   -1.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277   -0.0501   -2.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067    0.0302   -0.7821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634   -0.3158    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729   -0.6512   -0.0776 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0953   -1.9911   -0.5095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3390    0.2872   -1.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9817    0.9395   -1.4675 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9024    2.2629   -0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052    3.2447   -1.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    2.4525    0.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    1.0246    2.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410    2.3302    1.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    2.2066    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890    0.3129   -0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7163    1.3180   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140   -0.0750    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778   -2.2310    1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6385   -0.8320    2.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033   -1.7285    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5279   -2.2092   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -2.1626   -2.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5277   -2.6729   -0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8049    0.4724    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -1.2038    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9286   -0.5118    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7354   -1.9995   -1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0856    1.0809   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5984   -0.3323   -2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499    0.9928   -2.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396    3.1266    0.9952 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
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14  9  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  1
  4 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  1
  6 28  1  0
  6 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  1
 12 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  6
 17 37  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8670.5888665.953   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8671.9178665.183   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8670.5888667.490   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8666.3118662.504   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0    8668.0068666.107   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0    8666.7608665.202   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8667.2368663.737   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8668.7768663.737   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8669.2528665.202   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8668.0068667.647   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8669.3408668.417   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8664.0058668.417   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8665.3398667.647   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0    8666.6728669.957   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0    8666.6728668.417   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8665.3398666.107   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8662.6718667.647   0.000  0.00  0.00           C+0
CONECT    1    2    3    9                                                  
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4    7                                                            
CONECT    5    6    9   10                                                  
CONECT    6    7    5                                                       
CONECT    7    6    8    4                                                  
CONECT    8    7    9                                                       
CONECT    9    8    5    1                                                  
CONECT   10    5   11   15                                                  
CONECT   11   10                                                            
CONECT   12   13   17                                                       
CONECT   13   15   16   12                                                  
CONECT   14   15                                                            
CONECT   15   13   14   10                                                  
CONECT   16   13                                                            
CONECT   17   12                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   34    0
END

COMPND    HMDB0028908
HETATM    1  C1  UNL     1       2.899   1.579   1.240  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.351   0.701   0.165  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.577  -0.479   0.709  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.402  -1.365   1.577  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.022  -1.328  -0.441  1.00  0.00           C  
HETATM    6  N1  UNL     1       2.155  -1.810  -1.254  1.00  0.00           N  
HETATM    7  C6  UNL     1       0.151  -0.415  -1.228  1.00  0.00           C  
HETATM    8  O1  UNL     1       0.628  -0.050  -2.364  1.00  0.00           O  
HETATM    9  N2  UNL     1      -1.107   0.030  -0.782  1.00  0.00           N  
HETATM   10  C7  UNL     1      -1.763  -0.316   0.436  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.173  -0.651  -0.078  1.00  0.00           C  
HETATM   12  O2  UNL     1      -3.095  -1.991  -0.510  1.00  0.00           O  
HETATM   13  C9  UNL     1      -3.339   0.287  -1.248  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.982   0.939  -1.467  1.00  0.00           C  
HETATM   15  C11 UNL     1      -1.902   2.263  -0.828  1.00  0.00           C  
HETATM   16  O3  UNL     1      -2.605   3.245  -1.240  1.00  0.00           O  
HETATM   17  O4  UNL     1      -1.049   2.453   0.244  1.00  0.00           O  
HETATM   18  H1  UNL     1       3.353   1.025   2.085  1.00  0.00           H  
HETATM   19  H2  UNL     1       2.141   2.330   1.607  1.00  0.00           H  
HETATM   20  H3  UNL     1       3.722   2.207   0.810  1.00  0.00           H  
HETATM   21  H4  UNL     1       3.189   0.313  -0.442  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.716   1.318  -0.503  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.714  -0.075   1.251  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.778  -2.231   1.873  1.00  0.00           H  
HETATM   25  H8  UNL     1       2.639  -0.832   2.537  1.00  0.00           H  
HETATM   26  H9  UNL     1       3.303  -1.729   1.072  1.00  0.00           H  
HETATM   27  H10 UNL     1       0.528  -2.209  -0.047  1.00  0.00           H  
HETATM   28  H11 UNL     1       1.691  -2.163  -2.145  1.00  0.00           H  
HETATM   29  H12 UNL     1       2.528  -2.673  -0.782  1.00  0.00           H  
HETATM   30  H13 UNL     1      -1.805   0.472   1.201  1.00  0.00           H  
HETATM   31  H14 UNL     1      -1.328  -1.204   0.943  1.00  0.00           H  
HETATM   32  H15 UNL     1      -3.929  -0.512   0.707  1.00  0.00           H  
HETATM   33  H16 UNL     1      -2.735  -1.999  -1.450  1.00  0.00           H  
HETATM   34  H17 UNL     1      -4.086   1.081  -1.054  1.00  0.00           H  
HETATM   35  H18 UNL     1      -3.598  -0.332  -2.131  1.00  0.00           H  
HETATM   36  H19 UNL     1      -1.750   0.993  -2.562  1.00  0.00           H  
HETATM   37  H20 UNL     1      -1.240   3.127   0.995  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21   22
CONECT    3    4    5   23
CONECT    4   24   25   26
CONECT    5    6    7   27
CONECT    6   28   29
CONECT    7    8    8    9
CONECT    9   10   14
CONECT   10   11   30   31
CONECT   11   12   13   32
CONECT   12   33
CONECT   13   14   34   35
CONECT   14   15   36
CONECT   15   16   16   17
CONECT   17   37
END

HMDB0028908
     RDKit          3D
Isoleucylhydroxyproline
 37 37  0  0  0  0  0  0  0  0999 V2000
    2.8994    1.5792    1.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3512    0.7014    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5766   -0.4788    0.7095 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4022   -1.3646    1.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0225   -1.3279   -0.4414 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1549   -1.8096   -1.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1514   -0.4148   -1.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277   -0.0501   -2.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067    0.0302   -0.7821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634   -0.3158    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729   -0.6512   -0.0776 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0953   -1.9911   -0.5095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3390    0.2872   -1.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9817    0.9395   -1.4675 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9024    2.2629   -0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052    3.2447   -1.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0494    2.4525    0.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    1.0246    2.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410    2.3302    1.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    2.2066    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890    0.3129   -0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7163    1.3180   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140   -0.0750    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778   -2.2310    1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6385   -0.8320    2.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3033   -1.7285    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5279   -2.2092   -0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -2.1626   -2.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5277   -2.6729   -0.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8049    0.4724    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   -1.2038    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9286   -0.5118    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7354   -1.9995   -1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0856    1.0809   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5984   -0.3323   -2.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499    0.9928   -2.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2396    3.1266    0.9952 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
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 14  9  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  1
  4 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  1
  6 28  1  0
  6 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  1
 12 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  6
 17 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Isoleucine hydroxyproline dipeptide	HMDB
I-HP dipeptide	HMDB
IHP dipeptide	HMDB
Ile-hpro	HMDB
Isoleucine-hydroxyproline dipeptide	HMDB
L-Isoleucyl-L-hydroxyproline	HMDB
(4R)-L-Isoleucyl-4-hydroxy-L-proline	HMDB
Ile-hyp	HMDB
Isoleucyl-hydroxyproline	HMDB
L-Ile-L-hyp	HMDB
(2S,4R)-1-[(2S,3S)-2-Amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylate	HMDB
Isoleucylhydroxyproline	HMDB

Chemical Formula

C₁₁H₂₀N₂O₄

Average Molecular Weight

244.291

Monoisotopic Molecular Weight

244.142307132

IUPAC Name

(2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

Traditional Name

(2S,4R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

CAS Registry Number

90965-80-3

SMILES

CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O

InChI Identifier

InChI=1S/C11H20N2O4/c1-3-6(2)9(12)10(15)13-5-7(14)4-8(13)11(16)17/h6-9,14H,3-5,12H2,1-2H3,(H,16,17)/t6-,7+,8-,9-/m0/s1

InChI Key

IFZSZULHIWFRSB-KZVJFYERSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Isoleucine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
Proline or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine carboxylic acid
N-acylpyrrolidine
Tertiary carboxylic acid amide
Pyrrolidine
Amino acid
Carboxamide group
Secondary alcohol
Amino acid or derivatives
Carboxylic acid
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Primary aliphatic amine
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organic oxygen compound
Primary amine
Organonitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-2.92	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	58.3 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-2.9	ChemAxon
logS	-0.62	ALOGPS
pKa (Strongest Acidic)	3.75	ChemAxon
pKa (Strongest Basic)	8.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	103.86 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	60.4 m³·mol⁻¹	ChemAxon
Polarizability	25.29 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	165.362	30932474
DeepCCS	[M-H]-	163.004	30932474
DeepCCS	[M-2H]-	196.19	30932474
DeepCCS	[M+Na]+	171.455	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Isoleucylhydroxyproline	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O	3097.5	Standard polar	33892256
Isoleucylhydroxyproline	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O	2114.9	Standard non polar	33892256
Isoleucylhydroxyproline	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(O)=O	2182.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Isoleucylhydroxyproline,1TMS,isomer #1	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O	2059.7	Semi standard non polar	33892256
Isoleucylhydroxyproline,1TMS,isomer #2	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C	2016.5	Semi standard non polar	33892256
Isoleucylhydroxyproline,1TMS,isomer #3	CC[C@H](C)[C@H](N[Si](C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O	2068.6	Semi standard non polar	33892256
Isoleucylhydroxyproline,2TMS,isomer #1	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C	2051.4	Semi standard non polar	33892256
Isoleucylhydroxyproline,2TMS,isomer #2	CC[C@H](C)[C@H](N[Si](C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O	2072.9	Semi standard non polar	33892256
Isoleucylhydroxyproline,2TMS,isomer #3	CC[C@H](C)[C@H](N[Si](C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C	2070.0	Semi standard non polar	33892256
Isoleucylhydroxyproline,2TMS,isomer #4	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2166.7	Semi standard non polar	33892256
Isoleucylhydroxyproline,3TMS,isomer #1	CC[C@H](C)[C@H](N[Si](C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C	2077.9	Semi standard non polar	33892256
Isoleucylhydroxyproline,3TMS,isomer #1	CC[C@H](C)[C@H](N[Si](C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C	2187.5	Standard non polar	33892256
Isoleucylhydroxyproline,3TMS,isomer #2	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2222.9	Semi standard non polar	33892256
Isoleucylhydroxyproline,3TMS,isomer #2	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2264.8	Standard non polar	33892256
Isoleucylhydroxyproline,3TMS,isomer #3	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2199.2	Semi standard non polar	33892256
Isoleucylhydroxyproline,3TMS,isomer #3	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2216.6	Standard non polar	33892256
Isoleucylhydroxyproline,4TMS,isomer #1	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2267.0	Semi standard non polar	33892256
Isoleucylhydroxyproline,4TMS,isomer #1	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2270.4	Standard non polar	33892256
Isoleucylhydroxyproline,1TBDMS,isomer #1	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O	2296.1	Semi standard non polar	33892256
Isoleucylhydroxyproline,1TBDMS,isomer #2	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2261.9	Semi standard non polar	33892256
Isoleucylhydroxyproline,1TBDMS,isomer #3	CC[C@H](C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O	2292.1	Semi standard non polar	33892256
Isoleucylhydroxyproline,2TBDMS,isomer #1	CC[C@H](C)[C@H](N)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2513.0	Semi standard non polar	33892256
Isoleucylhydroxyproline,2TBDMS,isomer #2	CC[C@H](C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O	2550.8	Semi standard non polar	33892256
Isoleucylhydroxyproline,2TBDMS,isomer #3	CC[C@H](C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2529.0	Semi standard non polar	33892256
Isoleucylhydroxyproline,2TBDMS,isomer #4	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2602.2	Semi standard non polar	33892256
Isoleucylhydroxyproline,3TBDMS,isomer #1	CC[C@H](C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2767.9	Semi standard non polar	33892256
Isoleucylhydroxyproline,3TBDMS,isomer #1	CC[C@H](C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C	2727.8	Standard non polar	33892256
Isoleucylhydroxyproline,3TBDMS,isomer #2	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2886.9	Semi standard non polar	33892256
Isoleucylhydroxyproline,3TBDMS,isomer #2	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2824.0	Standard non polar	33892256
Isoleucylhydroxyproline,3TBDMS,isomer #3	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2848.3	Semi standard non polar	33892256
Isoleucylhydroxyproline,3TBDMS,isomer #3	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2798.0	Standard non polar	33892256
Isoleucylhydroxyproline,4TBDMS,isomer #1	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3124.9	Semi standard non polar	33892256
Isoleucylhydroxyproline,4TBDMS,isomer #1	CC[C@H](C)[C@@H](C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2968.8	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Isoleucylhydroxyproline GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isoleucylhydroxyproline 10V, Positive-QTOF	splash10-0002-0590000000-fa85b7b8d750a44c3bf2	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isoleucylhydroxyproline 20V, Positive-QTOF	splash10-03di-5900000000-e5375772d5a55a3dd02d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isoleucylhydroxyproline 40V, Positive-QTOF	splash10-0bt9-9200000000-1c37683803e2679776b8	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isoleucylhydroxyproline 10V, Negative-QTOF	splash10-0006-0390000000-ec230880441f1180fc96	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isoleucylhydroxyproline 20V, Negative-QTOF	splash10-03di-1910000000-945b10b0e0b02ec6581f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Isoleucylhydroxyproline 40V, Negative-QTOF	splash10-0536-9300000000-751782956b8609aa3111	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111937

KNApSAcK ID

Not Available

Chemspider ID

43627825

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

61158802

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Isoleucylhydroxyproline (HMDB0028908)

MOL for HMDB0028908 (Isoleucylhydroxyproline)

3D MOL for HMDB0028908 (Isoleucylhydroxyproline)

3D SDF for HMDB0028908 (Isoleucylhydroxyproline)

3D-SDF for HMDB0028908 (Isoleucylhydroxyproline)

PDB for HMDB0028908 (Isoleucylhydroxyproline)

3D PDB for HMDB0028908 (Isoleucylhydroxyproline)

SMILES for HMDB0028908 (Isoleucylhydroxyproline)

INCHI for HMDB0028908 (Isoleucylhydroxyproline)

Structure for HMDB0028908 (Isoleucylhydroxyproline)

3D Structure for HMDB0028908 (Isoleucylhydroxyproline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra