Showing metabocard for UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine (MMDBc0056352)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:23:32 UTC
Update Date2022-08-12 20:09:41 UTC
Metabolite IDMMDBc0056352
Metabolite Identification
Common NameUDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine
DescriptionUDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Based on a literature review a small amount of articles have been published on UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007fdb3d4fe230>


  Mrv1652306172222232D          

 47 49  0  0  1  0            999 V2000
    4.9024    9.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   12.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757    3.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9908    4.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231    6.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893    9.8372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6215   12.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615    6.6937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2962    3.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4608   10.6442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0631   10.9413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    7.1786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8477   11.1962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0964    6.6937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8414    5.9090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8916   10.1343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1468    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2454   10.8991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500   11.4933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6318    4.6604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264    5.2416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4061   12.5552    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7811    3.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0192   12.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810    6.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4824    6.0815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    8.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342    7.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    9.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7424    8.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946    7.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047    9.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    5.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    9.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7639    8.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    8.0105    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9354    9.0724    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0739   10.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6324    7.5085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323   11.4512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2346   11.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    7.5531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762   10.3893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6797    6.1103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669    5.1739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785   10.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  6  1  1  6  0  0  0
  7  2  1  4  0  0  0
  8  5  1  1  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 10 18  1  1  0  0  0
 19  7  2  0  0  0  0
 11 19  1  6  0  0  0
 20  9  2  0  0  0  0
 20 17  1  0  0  0  0
 21  4  1  0  0  0  0
 15 21  1  1  0  0  0
 21 17  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 12 24  1  6  0  0  0
 13 25  1  6  0  0  0
 14 26  1  6  0  0  0
 27 17  2  0  0  0  0
 32  5  1  0  0  0  0
 33  6  1  0  0  0  0
 33 16  1  0  0  0  0
 34  8  1  0  0  0  0
 34 15  1  0  0  0  0
 16 35  1  6  0  0  0
 37 28  1  0  0  0  0
 37 29  2  0  0  0  0
 37 32  1  0  0  0  0
 37 36  1  0  0  0  0
 38 30  1  0  0  0  0
 38 31  2  0  0  0  0
 38 35  1  0  0  0  0
 38 36  1  0  0  0  0
  6 39  1  1  0  0  0
  8 40  1  6  0  0  0
 10 41  1  6  0  0  0
 11 42  1  1  0  0  0
 12 43  1  1  0  0  0
 13 44  1  6  0  0  0
 14 45  1  1  0  0  0
 15 46  1  6  0  0  0
 16 47  1  1  0  0  0
M  CHG  1  22  -1
M  END
Download

3D MOL for #<Metabolite:0x00007fdb3d4fe230>

Download
3D SDF for #<Metabolite:0x00007fdb3d4fe230>

  Mrv1652306172222232D          

 47 49  0  0  1  0            999 V2000
    4.9024    9.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   12.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757    3.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9908    4.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231    6.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893    9.8372    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6215   12.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7615    6.6937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2962    3.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4608   10.6442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0631   10.9413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    7.1786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8477   11.1962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0964    6.6937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8414    5.9090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8916   10.1343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1468    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2454   10.8991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500   11.4933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6318    4.6604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3264    5.2416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4061   12.5552    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7811    3.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0192   12.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810    6.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4824    6.0815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    8.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342    7.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    9.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7424    8.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946    7.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047    9.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164    5.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1069    9.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7639    8.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    8.0105    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9354    9.0724    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0739   10.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6324    7.5085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323   11.4512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2346   11.7483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    7.5531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6762   10.3893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6797    6.1103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669    5.1739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2785   10.6864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  6  1  1  6  0  0  0
  7  2  1  4  0  0  0
  8  5  1  1  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 10 18  1  1  0  0  0
 19  7  2  0  0  0  0
 11 19  1  6  0  0  0
 20  9  2  0  0  0  0
 20 17  1  0  0  0  0
 21  4  1  0  0  0  0
 15 21  1  1  0  0  0
 21 17  1  0  0  0  0
 22  7  1  0  0  0  0
 23  9  1  0  0  0  0
 12 24  1  6  0  0  0
 13 25  1  6  0  0  0
 14 26  1  6  0  0  0
 27 17  2  0  0  0  0
 32  5  1  0  0  0  0
 33  6  1  0  0  0  0
 33 16  1  0  0  0  0
 34  8  1  0  0  0  0
 34 15  1  0  0  0  0
 16 35  1  6  0  0  0
 37 28  1  0  0  0  0
 37 29  2  0  0  0  0
 37 32  1  0  0  0  0
 37 36  1  0  0  0  0
 38 30  1  0  0  0  0
 38 31  2  0  0  0  0
 38 35  1  0  0  0  0
 38 36  1  0  0  0  0
  6 39  1  1  0  0  0
  8 40  1  6  0  0  0
 10 41  1  6  0  0  0
 11 42  1  1  0  0  0
 12 43  1  1  0  0  0
 13 44  1  6  0  0  0
 14 45  1  1  0  0  0
 15 46  1  6  0  0  0
 16 47  1  1  0  0  0
M  CHG  1  22  -1
M  END
> <DATABASE_ID>
MMDBc0056352

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(COP(O)(=O)OP(O)(=O)O[C@@]2([H])O[C@@]([H])(C)[C@]([H])(N)[C@]([H])(O)[C@@]2([H])N=C(C)[O-])O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/p-1/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1

> <INCHI_KEY>
FUUMLYWEEZBCQR-NAGKVERXSA-M

> <FORMULA>
C17H27N4O15P2

> <MOLECULAR_WEIGHT>
589.364

> <EXACT_MASS>
589.095363761

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
49.4235165040461

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2R,3R,4S,5R,6S)-5-amino-2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-4-hydroxy-6-methyloxan-3-yl]ethanecarboximidate

> <JCHEM_LOGP>
-4.411094322918739

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.182686831783893

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8726963818802433

> <JCHEM_PKA_STRONGEST_BASIC>
9.226119402693346

> <JCHEM_POLAR_SURFACE_AREA>
295.78000000000003

> <JCHEM_REFRACTIVITY>
129.06459999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2R,3R,4S,5R,6S)-5-amino-2-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-4-hydroxy-6-methyloxan-3-yl]ethanecarboximidate

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for #<Metabolite:0x00007fdb3d4fe230>
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PDB for #<Metabolite:0x00007fdb3d4fe230>
HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       9.151  17.332   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.749  23.991   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.621   7.132   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.716   8.377   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.043  12.971   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.007  18.363   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.894  22.961   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.421  12.495   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.153   7.293   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.327  19.869   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.718  20.424   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667  13.400   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.182  20.900   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.913  12.495   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.437  11.030   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.398  18.917   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.874   9.945   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       9.791  20.345   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       4.573  21.454   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0      -6.779   8.699   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0      -4.343   9.784   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0       6.358  23.436   0.000  0.00  0.00           O-1
HETATM   23  O   UNK     0      -7.058   6.047   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.667  14.940   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       7.503  22.406   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -5.378  12.971   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.500  11.352   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.352  16.418   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.304  13.488   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.106  17.255   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.119  16.615   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       0.363  14.477   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.542  17.887   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.897  11.030   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       3.933  18.442   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       3.293  15.429   0.000  0.00  0.00           O+0
HETATM   37  P   UNK     0       1.828  14.953   0.000  0.00  0.00           P+0
HETATM   38  P   UNK     0       3.613  16.935   0.000  0.00  0.00           P+0
HETATM   39  H   UNK     0       9.471  18.839   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      -1.181  14.016   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0       8.647  21.376   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       6.038  21.930   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      -4.040  14.099   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       6.862  19.393   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0      -5.002  11.406   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0      -2.738   9.658   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       4.253  19.948   0.000  0.00  0.00           H+0
CONECT    1    6                                                            
CONECT    2    7                                                            
CONECT    3    4    9                                                       
CONECT    4    3   21                                                       
CONECT    5    8   32                                                       
CONECT    6    1   10   33   39                                             
CONECT    7    2   19   22                                                  
CONECT    8    5   12   34   40                                             
CONECT    9    3   20   23                                                  
CONECT   10    6   13   18   41                                             
CONECT   11   13   16   19   42                                             
CONECT   12    8   14   24   43                                             
CONECT   13   10   11   25   44                                             
CONECT   14   12   15   26   45                                             
CONECT   15   14   21   34   46                                             
CONECT   16   11   33   35   47                                             
CONECT   17   20   21   27                                                  
CONECT   18   10                                                            
CONECT   19    7   11                                                       
CONECT   20    9   17                                                       
CONECT   21    4   15   17                                                  
CONECT   22    7                                                            
CONECT   23    9                                                            
CONECT   24   12                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
CONECT   27   17                                                            
CONECT   28   37                                                            
CONECT   29   37                                                            
CONECT   30   38                                                            
CONECT   31   38                                                            
CONECT   32    5   37                                                       
CONECT   33    6   16                                                       
CONECT   34    8   15                                                       
CONECT   35   16   38                                                       
CONECT   36   37   38                                                       
CONECT   37   28   29   32   36                                             
CONECT   38   30   31   35   36                                             
CONECT   39    6                                                            
CONECT   40    8                                                            
CONECT   41   10                                                            
CONECT   42   11                                                            
CONECT   43   12                                                            
CONECT   44   13                                                            
CONECT   45   14                                                            
CONECT   46   15                                                            
CONECT   47   16                                                            
MASTER        0    0    0    0    0    0    0    0   47    0   98    0
END

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3D PDB for #<Metabolite:0x00007fdb3d4fe230>
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SMILES for #<Metabolite:0x00007fdb3d4fe230>
[H][C@]1(COP(O)(=O)OP(O)(=O)O[C@@]2([H])O[C@@]([H])(C)[C@]([H])(N)[C@]([H])(O)[C@@]2([H])N=C(C)[O-])O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])O
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INCHI for #<Metabolite:0x00007fdb3d4fe230>
InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/p-1/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1
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Synonyms
ValueSource
UDP-4-Amino-4,6-dideoxy-N-acetyl-b-L-altrosamineGenerator
UDP-4-Amino-4,6-dideoxy-N-acetyl-β-L-altrosamineGenerator
Molecular FormulaC17H27N4O15P2
Average Mass589.364
Monoisotopic Mass589.095363761
IUPAC NameN-[(2R,3R,4S,5R,6S)-5-amino-2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-4-hydroxy-6-methyloxan-3-yl]ethanecarboximidate
Traditional NameN-[(2R,3R,4S,5R,6S)-5-amino-2-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-4-hydroxy-6-methyloxan-3-yl]ethanecarboximidate
CAS Registry NumberNot Available
SMILES
[H][C@]1(COP(O)(=O)OP(O)(=O)O[C@@]2([H])O[C@@]([H])(C)[C@]([H])(N)[C@]([H])(O)[C@@]2([H])N=C(C)[O-])O[C@@]([H])(N2C=CC(O)=NC2=O)[C@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/p-1/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1
InChI KeyFUUMLYWEEZBCQR-NAGKVERXSA-M