NP-MRD: Showing NP-Card for alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp (NP0087602)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-05-11 16:54:10 UTC

Updated at

2022-05-11 16:54:10 UTC

NP-MRD ID

NP0087602

Secondary Accession Numbers

None

Natural Product Identification

Common Name

alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp

Description

Alpha-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Alpha-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02231220482D          

 48 50  0  0  1  0            999 V2000
   15.0449  -11.0180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0449  -11.8430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7585  -12.2555    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4708  -11.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4708  -11.0180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7585  -10.6069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1857  -10.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9007  -11.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7585   -9.7819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3313  -10.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3300  -12.2555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7585  -13.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0436  -13.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9007  -11.8430    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6144  -12.2555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3266  -11.8430    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3266  -11.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6144  -10.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1857  -12.2555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6144  -13.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0415  -12.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7565  -11.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6144   -9.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8993   -8.7095    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8993   -7.8845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1844   -7.4720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4694   -7.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4694   -8.7095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1844   -9.1219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1844   -9.9469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7544   -9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394   -8.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1844   -6.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6144   -7.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4694   -6.2345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4694   -5.4095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7544   -6.6470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0394   -6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7544   -7.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3245   -6.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7544   -4.9970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1844   -4.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394   -5.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7544   -4.1720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3245   -4.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3258   -4.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394   -3.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394   -2.9346    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  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7  8  1  6  0  0  0
  6  9  1  6  0  0  0
  1 10  1  6  0  0  0
  2 11  1  1  0  0  0
  3 12  1  6  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 18  1  0  0  0  0
 14 19  1  6  0  0  0
 15 20  1  1  0  0  0
 16 21  1  6  0  0  0
 21 22  1  0  0  0  0
 18 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  1  0  0  0
 31 32  1  0  0  0  0
 26 33  1  1  0  0  0
 25 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  6  0  0  0
 38 40  1  0  0  0  0
 36 41  1  0  0  0  0
 36 42  1  1  0  0  0
 41 43  1  0  0  0  0
 41 44  1  6  0  0  0
 43 45  2  0  0  0  0
 44 47  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
M  END

     RDKit          3D

 93 95  0  0  0  0  0  0  0  0999 V2000
    7.5568   -2.7600   -1.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5497   -1.4251   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0211   -1.3499    0.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0187   -0.3137   -1.4679 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9749    1.0243   -0.8827 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9178    1.8568   -1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5545    1.4429   -2.6135 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5615    1.5461   -0.9724 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2520    1.5535   -2.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5729    0.7110   -0.2401 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2767    1.0892   -0.3367 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4021    0.1359   -0.8373 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8916    0.6034   -2.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8668    1.4632   -2.0629 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3014    2.8527   -1.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064    3.2354   -2.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115    1.0726   -1.1923 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4138    0.8958   -2.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107   -0.2254   -0.4666 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0062   -0.4134    0.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660   -1.5817    0.2480 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3099   -2.5037    1.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2706   -2.6175    2.2257 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7384   -3.6034    3.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7065   -3.7237    4.2596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -3.2132    1.7246 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5994   -2.5125    2.3857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6321   -2.9597    0.2377 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6770   -3.7659   -0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1431   -1.5102    0.0729 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7240   -0.7028    1.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6162    0.2291    0.5596 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9045   -0.0027    1.1149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8367    0.4977    0.2112 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1478   -0.6665   -0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0766   -0.2951   -1.6964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3593    1.7128   -0.5112 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.4625    2.5714   -0.7315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4222    2.5118    0.4007 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9478    3.6268   -0.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2988    1.6571    0.9432 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1362    2.0287    0.2854 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614   -0.1697    0.1738 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3458    0.8419    1.1515 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9092    0.5465    1.2287 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0642   -0.4467    1.7238 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6611    1.7920    2.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4402    2.8639    1.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9252   -2.5888   -2.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2267   -3.4549   -0.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4928   -3.1098   -1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472   -0.4530   -2.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    0.9504    0.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0198    2.8949   -1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5706    2.6049   -0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6207    0.8511   -2.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6421   -0.3422   -0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570   -0.8415   -1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4802    1.5799   -3.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7758    2.8028   -0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4567    3.5755   -1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    4.0937   -3.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5130    1.8431   -0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749    0.5505   -2.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0441   -1.0255   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317   -2.0467   -0.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347   -1.6542    2.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671   -4.6124    2.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7472   -3.3378    3.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6761   -4.6382    4.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6916   -4.2739    1.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4150   -3.0453    2.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6013   -3.1174   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9546   -3.8736   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5074   -1.1924   -0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7332    0.2016   -0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7614    0.7680    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5122   -1.5223   -0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2186   -1.0286   -1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8650   -0.8963   -1.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9296    1.5371   -1.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9433    2.3515   -1.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0758    2.8751    1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4349    3.7181   -1.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2080    1.7580    2.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1754    2.9207   -0.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -1.1685    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7681    0.5410    1.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    0.1575    1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -1.3365    1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    2.1277    1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    1.5731    3.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0681    3.6839    2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 19 43  1  0
 43 44  1  0
 10 45  1  0
 45 46  1  0
 45 47  1  0
 47 48  1  0
 43 12  1  0
 30 21  1  0
 41 32  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  4 52  1  0
  5 53  1  1
  6 54  1  0
  8 55  1  1
  9 56  1  0
 10 57  1  6
 12 58  1  6
 14 59  1  6
 15 60  1  0
 15 61  1  0
 16 62  1  0
 17 63  1  1
 18 64  1  0
 19 65  1  6
 21 66  1  6
 23 67  1  1
 24 68  1  0
 24 69  1  0
 25 70  1  0
 26 71  1  6
 27 72  1  0
 28 73  1  6
 29 74  1  0
 30 75  1  6
 32 76  1  6
 34 77  1  1
 35 78  1  0
 35 79  1  0
 36 80  1  0
 37 81  1  6
 38 82  1  0
 39 83  1  1
 40 84  1  0
 41 85  1  1
 42 86  1  0
 43 87  1  1
 44 88  1  0
 45 89  1  6
 46 90  1  0
 47 91  1  0
 47 92  1  0
 48 93  1  0
M  END


  Mrv0541 02231220482D          

 48 50  0  0  1  0            999 V2000
   15.0449  -11.0180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0449  -11.8430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7585  -12.2555    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4708  -11.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4708  -11.0180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7585  -10.6069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1857  -10.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9007  -11.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7585   -9.7819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3313  -10.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3300  -12.2555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7585  -13.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0436  -13.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9007  -11.8430    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6144  -12.2555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3266  -11.8430    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3266  -11.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6144  -10.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1857  -12.2555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6144  -13.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0415  -12.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7565  -11.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6144   -9.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8993   -8.7095    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8993   -7.8845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1844   -7.4720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4694   -7.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4694   -8.7095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1844   -9.1219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1844   -9.9469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7544   -9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394   -8.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1844   -6.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6144   -7.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4694   -6.2345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4694   -5.4095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7544   -6.6470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0394   -6.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7544   -7.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3245   -6.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7544   -4.9970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1844   -4.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394   -5.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7544   -4.1720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3245   -4.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3258   -4.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394   -3.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394   -2.9346    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  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  1  0  0  0
  7  8  1  6  0  0  0
  6  9  1  6  0  0  0
  1 10  1  6  0  0  0
  2 11  1  1  0  0  0
  3 12  1  6  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 18  1  0  0  0  0
 14 19  1  6  0  0  0
 15 20  1  1  0  0  0
 16 21  1  6  0  0  0
 21 22  1  0  0  0  0
 18 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  1  0  0  0
 31 32  1  0  0  0  0
 26 33  1  1  0  0  0
 25 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  6  0  0  0
 38 40  1  0  0  0  0
 36 41  1  0  0  0  0
 36 42  1  1  0  0  0
 41 43  1  0  0  0  0
 41 44  1  6  0  0  0
 43 45  2  0  0  0  0
 44 47  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0087602

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)[C@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C26H45NO21/c1-7(33)27-8(2-28)13(35)21(9(34)3-29)46-25-20(42)22(16(38)12(6-32)44-25)47-26-23(18(40)15(37)11(5-31)45-26)48-24-19(41)17(39)14(36)10(4-30)43-24/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22-,23?,24+,25-,26+/m0/s1

> <INCHI_KEY>
POROYQINIQHUGJ-APJJTYCFSA-N

> <FORMULA>
C26H45NO21

> <MOLECULAR_WEIGHT>
707.6296

> <EXACT_MASS>
707.248407507

> <JCHEM_ACCEPTOR_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
66.71682899071808

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-[(2R,3R,4S,5R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide

> <ALOGPS_LOGP>
-2.48

> <JCHEM_LOGP>
-9.168902693666666

> <ALOGPS_LOGS>
-0.76

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.988557480028168

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.334471829197831

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6486744104308775

> <JCHEM_POLAR_SURFACE_AREA>
364.53999999999996

> <JCHEM_REFRACTIVITY>
145.6868

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.22e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[(2R,3R,4S,5R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      28.084 -20.567   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      28.084 -22.107   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.416 -22.877   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      30.745 -22.107   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      30.745 -20.567   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      29.416 -19.800   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      32.080 -19.797   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      33.415 -20.567   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      29.416 -18.260   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      26.752 -19.797   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      26.749 -22.877   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      29.416 -24.417   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      28.081 -25.187   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      33.415 -22.107   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      34.747 -22.877   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      36.076 -22.107   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      36.076 -20.567   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      34.747 -19.800   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      32.080 -22.877   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      34.747 -24.417   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      37.411 -22.877   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      38.745 -22.107   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      34.747 -17.028   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      33.412 -16.258   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      33.412 -14.718   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      32.078 -13.948   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      30.743 -14.718   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      30.743 -16.258   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      32.078 -17.028   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      32.078 -18.568   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      29.408 -17.028   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      28.074 -16.258   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      32.078 -12.408   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      34.747 -13.948   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      30.743 -11.638   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      30.743 -10.098   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      29.408 -12.408   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      28.074 -11.638   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      29.408 -13.948   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      26.739 -12.408   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      29.408  -9.328   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      32.078  -9.328   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      28.074 -10.098   0.000  0.00  0.00           C+0
HETATM   44  N   UNK     0      29.408  -7.788   0.000  0.00  0.00           N+0
HETATM   45  O   UNK     0      26.739  -9.328   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      26.741  -7.788   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      28.074  -7.018   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      28.074  -5.478   0.000  0.00  0.00           O+0
CONECT    1    2    6   10                                                  
CONECT    2    1    3   11                                                  
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5    1    9                                                  
CONECT    7    5    8                                                       
CONECT    8    7   14   18                                                  
CONECT    9    6                                                            
CONECT   10    1                                                            
CONECT   11    2                                                            
CONECT   12    3   13                                                       
CONECT   13   12                                                            
CONECT   14    8   15   19                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17    8   23                                                  
CONECT   19   14                                                            
CONECT   20   15                                                            
CONECT   21   16   22                                                       
CONECT   22   21                                                            
CONECT   23   18   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26   34                                                  
CONECT   26   25   27   33                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   24   30                                                  
CONECT   30   29                                                            
CONECT   31   28   32                                                       
CONECT   32   31                                                            
CONECT   33   26   35                                                       
CONECT   34   25                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35   41   42                                                  
CONECT   37   35   38   39                                                  
CONECT   38   37   40                                                       
CONECT   39   37                                                            
CONECT   40   38                                                            
CONECT   41   36   43   44                                                  
CONECT   42   36                                                            
CONECT   43   41   45                                                       
CONECT   44   41   47                                                       
CONECT   45   43                                                            
CONECT   46   47                                                            
CONECT   47   44   46   48                                                  
CONECT   48   47                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  100    0
END

View in JSmol

Synonyms

Value	Source
a-D-Manp-(1 -> 2)-a-D-manp-(1 -> 2)-a-D-manp-(1 -> 3)-b-D-manp-(1 -> 4)-D-glcnacp	Generator
Α-D-manp-(1 -> 2)-a-D-manp-(1 -> 2)-a-D-manp-(1 -> 3)-b-D-manp-(1 -> 4)-D-glcnacp	Generator
a-D-Manp-(1 -> 2)-a-D-manp-(1 -> 2)-a-D-manp-(1 -> 3)-b-D-manp-(1 -> 4)-D-glcnacpo-alpha-D-mannopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-beta-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- D-glucose	HMDB
alpha-D-Manp-(1 -> 2)-alpha-D-manp-(1 -> 2)-alpha-D-manp-(1 -> 3)-beta-D-manp-(1 -> 4)-D-glcnacpo-alpha-D-mannopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-beta-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- D-glucose	HMDB
O-alpha-delta-Mannopyranosyl-(1->2)-O-alpha-delta-mannopyranosyl-(1->3)-O-beta-delta-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- D-glucose	HMDB
N-[(2R,3R,4S,5R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]ethanimidate	HMDB
a-D-Manp-(1->2)-a-D-manp-(1->2)-a-D-manp-(1->3)-b-D-manp-(1->4)-D-glcnacp	Generator
Α-D-manp-(1->2)-α-D-manp-(1->2)-α-D-manp-(1->3)-β-D-manp-(1->4)-D-glcnacp	Generator

Chemical Formula

C₂₆H₄₅NO₂₁

Average Mass

707.6296 Da

Monoisotopic Mass

707.24841 Da

IUPAC Name

N-[(2R,3R,4S,5R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)[C@H](O)CO

InChI Identifier

InChI=1S/C26H45NO21/c1-7(33)27-8(2-28)13(35)21(9(34)3-29)46-25-20(42)22(16(38)12(6-32)44-25)47-26-23(18(40)15(37)11(5-31)45-26)48-24-19(41)17(39)14(36)10(4-30)43-24/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22-,23?,24+,25-,26+/m0/s1

InChI Key

POROYQINIQHUGJ-APJJTYCFSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Fatty acyl glycoside
Alkyl glycoside
Glycosyl compound
O-glycosyl compound
Amino saccharide
Beta-hydroxy aldehyde
Oxane
Fatty acyl
Acetamide
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Organoheterocyclic compound
Polyol
Acetal
Oxacycle
Carboxylic acid derivative
Aldehyde
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organonitrogen compound
Organic nitrogen compound
Alcohol
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

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	-2.5	ALOGPS
logP	-9.2	ChemAxon
logS	-0.76	ALOGPS
pKa (Strongest Acidic)	11.33	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	21	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	364.54 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	145.69 m³·mol⁻¹	ChemAxon
Polarizability	66.72 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0006699

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB024031

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53477881

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp (NP0087602)

MOL for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

3D MOL for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

3D SDF for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

3D-SDF for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

PDB for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

3D PDB for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

SMILES for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

INCHI for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

Structure for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)

3D Structure for NP0087602 (alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-D-GlcNAcp)