NP-MRD: Showing NP-Card for Albisporachelin (NP0018229)

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Record Information

Version

2.0

Created at

2021-01-06 02:53:26 UTC

Updated at

2021-07-15 17:27:38 UTC

NP-MRD ID

NP0018229

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Albisporachelin

Provided By

NPAtlas

Description

Albisporachelin is found in Amycolatopsis and Amycolatopsis albispora. Albisporachelin was first documented in 2018 (PMID: 29875351). Based on a literature review very few articles have been published on Albisporachelin.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042107393D          

 78 78  0  0  0  0            999 V2000
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    6.3061   -0.1082   -2.5482 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.3030   -0.6635   -1.6524 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.3186    0.9199    1.0087 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4240    1.6021    1.7184 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.4811    1.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6443    1.2898    3.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    0.4610    3.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0857    0.0797   -1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7  8  1  0  0  0  0
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  9 10  2  0  0  0  0
  3 11  1  0  0  0  0
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M  END

     RDKit          3D

 78 78  0  0  0  0  0  0  0  0999 V2000
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   -5.4138    4.1834    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0082    4.3754    0.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9370    3.7916   -2.4596 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  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
 24 26  1  0
 26 27  2  0
 20 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 38 32  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  2 43  1  0
  3 44  1  6
  4 45  1  0
  4 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  6 50  1  0
  8 51  1  0
  9 52  1  0
 13 53  1  0
 14 54  1  1
 15 55  1  0
 15 56  1  0
 16 57  1  0
 19 58  1  0
 20 59  1  6
 21 60  1  0
 21 61  1  0
 22 62  1  0
 22 63  1  0
 23 64  1  0
 23 65  1  0
 25 66  1  0
 26 67  1  0
 31 68  1  0
 31 69  1  0
 31 70  1  0
 32 71  1  6
 33 72  1  0
 33 73  1  0
 34 74  1  0
 34 75  1  0
 35 76  1  0
 35 77  1  0
 37 78  1  0
M  END


  Mrv1652307042107393D          

 78 78  0  0  0  0            999 V2000
    5.6580    0.3893   -3.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3061   -0.1082   -2.5482 N   0  0  2  0  0  0  0  0  0  0  0  0
    5.3030   -0.6635   -1.6524 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9396   -1.1840   -0.4314 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8054   -0.3167    0.3750 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3186    0.9199    1.0087 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4240    1.6021    1.7184 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.4811    1.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6443    1.2898    3.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    0.4610    3.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0857    0.0797   -1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363    1.3125   -1.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457   -0.6728   -1.5145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017   -0.0131   -1.3127 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2435    0.7593   -2.6190 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0132    1.3935   -2.4141 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5226   -0.9555   -1.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225   -2.2190   -1.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -0.5907   -0.6067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8735   -1.4342   -0.2559 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6643   -2.2993    0.8960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7385   -3.2405    1.2897 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0378   -2.6805    1.7763 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9482   -3.7904    2.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9209   -4.2931    3.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8177   -4.2899    1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6224   -5.2464    1.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -0.6974   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8953   -1.0666   -1.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    0.4027    0.3548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6051    0.9022    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8044    1.0266    0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3527    1.5884    1.4073 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5959    2.4090    1.1106 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1526    3.7337    0.5249 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3501    3.4034   -0.6507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4806    4.2734   -1.7039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5132    2.2817   -0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5218    2.2774   -1.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109   -0.3982   -4.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225    1.1892   -3.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373    0.8036   -4.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8459    0.6795   -2.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849   -1.6157   -2.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5050   -2.1333   -0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1166   -1.5719    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1615   -0.9772    1.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080   -0.1349   -0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5677    0.7213    1.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8833    1.6927    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2055    2.4175    0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    1.7430    3.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7242   -1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    0.7955   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169    0.0582   -3.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0164    1.5703   -2.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1341    2.3592   -2.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755    0.4616   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380   -2.2034   -1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2927   -1.8307    1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -2.9629    0.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3550   -3.9572    2.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9604   -3.9167    0.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9445   -2.1053    2.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5680   -2.0604    1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2074   -3.9038    3.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9006   -3.9219    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    1.9715    1.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981    1.0350    2.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028    0.3320    1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4262    0.4423   -0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6250    0.8896    2.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5609    2.3266    1.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1967    1.8121    0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1883    2.5420    2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138    4.1834    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0082    4.3754    0.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9370    3.7916   -2.4596 H   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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 32  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2 43  1  0  0  0  0
  3 44  1  6  0  0  0
  4 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6 49  1  0  0  0  0
  6 50  1  0  0  0  0
  8 51  1  0  0  0  0
  9 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 54  1  1  0  0  0
 15 55  1  0  0  0  0
 15 56  1  0  0  0  0
 16 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 59  1  6  0  0  0
 21 60  1  0  0  0  0
 21 61  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 25 66  1  0  0  0  0
 26 67  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 32 71  1  6  0  0  0
 33 72  1  0  0  0  0
 33 73  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
 37 78  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0018229

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]ON(C([H])=O)C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N(O[H])C([H])=O)C([H])([H])O[H])C(=O)N(C([H])([H])[H])[C@]1([H])C(=O)N(O[H])C([H])([H])C([H])([H])C1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C22H39N7O10/c1-23-15(6-3-9-27(37)13-31)19(33)25-17(12-30)20(34)24-16(7-4-10-28(38)14-32)21(35)26(2)18-8-5-11-29(39)22(18)36/h13-18,23,30,37-39H,3-12H2,1-2H3,(H,24,34)(H,25,33)/t15-,16-,17-,18-/m0/s1

> <INCHI_KEY>
VJIWUTHTOFWQLT-XSLAGTTESA-N

> <FORMULA>
C22H39N7O10

> <MOLECULAR_WEIGHT>
561.593

> <EXACT_MASS>
561.275840484

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
56.20315232691272

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-3-hydroxy-2-[(2S)-5-(N-hydroxyformamido)-2-(methylamino)pentanamido]propanamido]-N-[(3S)-1-hydroxy-2-oxopiperidin-3-yl]-5-(N-hydroxyformamido)-N-methylpentanamide

> <ALOGPS_LOGP>
-1.13

> <JCHEM_LOGP>
-5.666328112083387

> <ALOGPS_LOGS>
-2.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
8.618833002953975

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.258690970343633

> <JCHEM_PKA_STRONGEST_BASIC>
7.822678647456169

> <JCHEM_POLAR_SURFACE_AREA>
232.39

> <JCHEM_REFRACTIVITY>
133.7386

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.84e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-3-hydroxy-2-[(2S)-5-(N-hydroxyformamido)-2-(methylamino)pentanamido]propanamido]-N-[(3S)-1-hydroxy-2-oxopiperidin-3-yl]-5-(N-hydroxyformamido)-N-methylpentanamide

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 78 78  0  0  0  0  0  0  0  0999 V2000
    5.6580    0.3893   -3.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3061   -0.1082   -2.5482 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3030   -0.6635   -1.6524 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9396   -1.1840   -0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8054   -0.3167    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3186    0.9199    1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4240    1.6021    1.7184 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.4811    1.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6443    1.2898    3.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    0.4610    3.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0857    0.0797   -1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363    1.3125   -1.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457   -0.6728   -1.5145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017   -0.0131   -1.3127 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2435    0.7593   -2.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132    1.3935   -2.4141 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5226   -0.9555   -1.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225   -2.2190   -1.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -0.5907   -0.6067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8735   -1.4342   -0.2559 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6643   -2.2993    0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7385   -3.2405    1.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0378   -2.6805    1.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9482   -3.7904    2.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9209   -4.2931    3.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8177   -4.2899    1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6224   -5.2464    1.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -0.6974   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8953   -1.0666   -1.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    0.4027    0.3548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6051    0.9022    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8044    1.0266    0.1650 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3527    1.5884    1.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5959    2.4090    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1526    3.7337    0.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3501    3.4034   -0.6507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4806    4.2734   -1.7039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5132    2.2817   -0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5218    2.2774   -1.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109   -0.3982   -4.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225    1.1892   -3.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373    0.8036   -4.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8459    0.6795   -2.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849   -1.6157   -2.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5050   -2.1333   -0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1166   -1.5719    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1615   -0.9772    1.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080   -0.1349   -0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5677    0.7213    1.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8833    1.6927    0.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2055    2.4175    0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    1.7430    3.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7242   -1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    0.7955   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169    0.0582   -3.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0164    1.5703   -2.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1341    2.3592   -2.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9755    0.4616   -0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8380   -2.2034   -1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2927   -1.8307    1.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -2.9629    0.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3550   -3.9572    2.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9604   -3.9167    0.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9445   -2.1053    2.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5680   -2.0604    1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2074   -3.9038    3.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9006   -3.9219    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    1.9715    1.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981    1.0350    2.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028    0.3320    1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4262    0.4423   -0.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6250    0.8896    2.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5609    2.3266    1.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1967    1.8121    0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1883    2.5420    2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138    4.1834    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0082    4.3754    0.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9370    3.7916   -2.4596 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  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
 24 26  1  0
 26 27  2  0
 20 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 38 32  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  2 43  1  0
  3 44  1  6
  4 45  1  0
  4 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  6 50  1  0
  8 51  1  0
  9 52  1  0
 13 53  1  0
 14 54  1  1
 15 55  1  0
 15 56  1  0
 16 57  1  0
 19 58  1  0
 20 59  1  6
 21 60  1  0
 21 61  1  0
 22 62  1  0
 22 63  1  0
 23 64  1  0
 23 65  1  0
 25 66  1  0
 26 67  1  0
 31 68  1  0
 31 69  1  0
 31 70  1  0
 32 71  1  6
 33 72  1  0
 33 73  1  0
 34 74  1  0
 34 75  1  0
 35 76  1  0
 35 77  1  0
 37 78  1  0
M  END

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0       5.658   0.389  -3.752  0.00  0.00           C+0
HETATM    2  N   UNK     0       6.306  -0.108  -2.548  0.00  0.00           N+0
HETATM    3  C   UNK     0       5.303  -0.664  -1.652  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.940  -1.184  -0.431  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.805  -0.317   0.375  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.319   0.920   1.009  0.00  0.00           C+0
HETATM    7  N   UNK     0       7.424   1.602   1.718  0.00  0.00           N+0
HETATM    8  O   UNK     0       8.196   2.481   1.082  0.00  0.00           O+0
HETATM    9  C   UNK     0       7.644   1.290   3.071  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.899   0.461   3.689  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.086   0.080  -1.474  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.936   1.313  -1.286  0.00  0.00           O+0
HETATM   13  N   UNK     0       2.846  -0.673  -1.515  0.00  0.00           N+0
HETATM   14  C   UNK     0       1.602  -0.013  -1.313  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.244   0.759  -2.619  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.013   1.393  -2.414  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.523  -0.956  -1.014  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.823  -2.219  -1.155  0.00  0.00           O+0
HETATM   19  N   UNK     0      -0.745  -0.591  -0.607  0.00  0.00           N+0
HETATM   20  C   UNK     0      -1.874  -1.434  -0.256  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.664  -2.299   0.896  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.739  -3.240   1.290  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.038  -2.680   1.776  0.00  0.00           C+0
HETATM   24  N   UNK     0      -4.948  -3.790   2.114  0.00  0.00           N+0
HETATM   25  O   UNK     0      -4.921  -4.293   3.354  0.00  0.00           O+0
HETATM   26  C   UNK     0      -5.818  -4.290   1.145  0.00  0.00           C+0
HETATM   27  O   UNK     0      -6.622  -5.246   1.396  0.00  0.00           O+0
HETATM   28  C   UNK     0      -3.124  -0.697  -0.454  0.00  0.00           C+0
HETATM   29  O   UNK     0      -3.895  -1.067  -1.408  0.00  0.00           O+0
HETATM   30  N   UNK     0      -3.490   0.403   0.355  0.00  0.00           N+0
HETATM   31  C   UNK     0      -2.605   0.902   1.365  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.804   1.027   0.165  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.353   1.588   1.407  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.596   2.409   1.111  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.153   3.734   0.525  0.00  0.00           C+0
HETATM   36  N   UNK     0      -5.350   3.403  -0.651  0.00  0.00           N+0
HETATM   37  O   UNK     0      -5.481   4.273  -1.704  0.00  0.00           O+0
HETATM   38  C   UNK     0      -4.513   2.282  -0.708  0.00  0.00           C+0
HETATM   39  O   UNK     0      -3.522   2.277  -1.468  0.00  0.00           O+0
HETATM   40  H   UNK     0       5.111  -0.398  -4.314  0.00  0.00           H+0
HETATM   41  H   UNK     0       4.923   1.189  -3.540  0.00  0.00           H+0
HETATM   42  H   UNK     0       6.437   0.804  -4.401  0.00  0.00           H+0
HETATM   43  H   UNK     0       6.846   0.680  -2.133  0.00  0.00           H+0
HETATM   44  H   UNK     0       4.985  -1.616  -2.254  0.00  0.00           H+0
HETATM   45  H   UNK     0       6.505  -2.133  -0.682  0.00  0.00           H+0
HETATM   46  H   UNK     0       5.117  -1.572   0.266  0.00  0.00           H+0
HETATM   47  H   UNK     0       7.162  -0.977   1.255  0.00  0.00           H+0
HETATM   48  H   UNK     0       7.808  -0.135  -0.146  0.00  0.00           H+0
HETATM   49  H   UNK     0       5.568   0.721   1.839  0.00  0.00           H+0
HETATM   50  H   UNK     0       5.883   1.693   0.382  0.00  0.00           H+0
HETATM   51  H   UNK     0       8.206   2.418   0.099  0.00  0.00           H+0
HETATM   52  H   UNK     0       8.456   1.743   3.640  0.00  0.00           H+0
HETATM   53  H   UNK     0       2.866  -1.724  -1.689  0.00  0.00           H+0
HETATM   54  H   UNK     0       1.725   0.796  -0.549  0.00  0.00           H+0
HETATM   55  H   UNK     0       1.217   0.058  -3.431  0.00  0.00           H+0
HETATM   56  H   UNK     0       2.016   1.570  -2.700  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.134   2.359  -2.189  0.00  0.00           H+0
HETATM   58  H   UNK     0      -0.976   0.462  -0.542  0.00  0.00           H+0
HETATM   59  H   UNK     0      -1.838  -2.203  -1.154  0.00  0.00           H+0
HETATM   60  H   UNK     0      -1.293  -1.831   1.839  0.00  0.00           H+0
HETATM   61  H   UNK     0      -0.755  -2.963   0.624  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.355  -3.957   2.090  0.00  0.00           H+0
HETATM   63  H   UNK     0      -2.960  -3.917   0.411  0.00  0.00           H+0
HETATM   64  H   UNK     0      -3.945  -2.105   2.734  0.00  0.00           H+0
HETATM   65  H   UNK     0      -4.568  -2.060   1.043  0.00  0.00           H+0
HETATM   66  H   UNK     0      -4.207  -3.904   3.910  0.00  0.00           H+0
HETATM   67  H   UNK     0      -5.901  -3.922   0.104  0.00  0.00           H+0
HETATM   68  H   UNK     0      -2.321   1.972   1.063  0.00  0.00           H+0
HETATM   69  H   UNK     0      -3.098   1.035   2.370  0.00  0.00           H+0
HETATM   70  H   UNK     0      -1.703   0.332   1.570  0.00  0.00           H+0
HETATM   71  H   UNK     0      -5.426   0.442  -0.472  0.00  0.00           H+0
HETATM   72  H   UNK     0      -5.625   0.890   2.216  0.00  0.00           H+0
HETATM   73  H   UNK     0      -4.561   2.327   1.799  0.00  0.00           H+0
HETATM   74  H   UNK     0      -7.197   1.812   0.373  0.00  0.00           H+0
HETATM   75  H   UNK     0      -7.188   2.542   2.052  0.00  0.00           H+0
HETATM   76  H   UNK     0      -5.414   4.183   1.244  0.00  0.00           H+0
HETATM   77  H   UNK     0      -7.008   4.375   0.319  0.00  0.00           H+0
HETATM   78  H   UNK     0      -5.937   3.792  -2.460  0.00  0.00           H+0
CONECT    1    2   40   41   42                                             
CONECT    2    1    3   43                                                  
CONECT    3    2    4   11   44                                             
CONECT    4    3    5   45   46                                             
CONECT    5    4    6   47   48                                             
CONECT    6    5    7   49   50                                             
CONECT    7    6    8    9                                                  
CONECT    8    7   51                                                       
CONECT    9    7   10   52                                                  
CONECT   10    9                                                            
CONECT   11    3   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   53                                                  
CONECT   14   13   15   17   54                                             
CONECT   15   14   16   55   56                                             
CONECT   16   15   57                                                       
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   58                                                  
CONECT   20   19   21   28   59                                             
CONECT   21   20   22   60   61                                             
CONECT   22   21   23   62   63                                             
CONECT   23   22   24   64   65                                             
CONECT   24   23   25   26                                                  
CONECT   25   24   66                                                       
CONECT   26   24   27   67                                                  
CONECT   27   26                                                            
CONECT   28   20   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30   68   69   70                                             
CONECT   32   30   33   38   71                                             
CONECT   33   32   34   72   73                                             
CONECT   34   33   35   74   75                                             
CONECT   35   34   36   76   77                                             
CONECT   36   35   37   38                                                  
CONECT   37   36   78                                                       
CONECT   38   36   39   32                                                  
CONECT   39   38                                                            
CONECT   40    1                                                            
CONECT   41    1                                                            
CONECT   42    1                                                            
CONECT   43    2                                                            
CONECT   44    3                                                            
CONECT   45    4                                                            
CONECT   46    4                                                            
CONECT   47    5                                                            
CONECT   48    5                                                            
CONECT   49    6                                                            
CONECT   50    6                                                            
CONECT   51    8                                                            
CONECT   52    9                                                            
CONECT   53   13                                                            
CONECT   54   14                                                            
CONECT   55   15                                                            
CONECT   56   15                                                            
CONECT   57   16                                                            
CONECT   58   19                                                            
CONECT   59   20                                                            
CONECT   60   21                                                            
CONECT   61   21                                                            
CONECT   62   22                                                            
CONECT   63   22                                                            
CONECT   64   23                                                            
CONECT   65   23                                                            
CONECT   66   25                                                            
CONECT   67   26                                                            
CONECT   68   31                                                            
CONECT   69   31                                                            
CONECT   70   31                                                            
CONECT   71   32                                                            
CONECT   72   33                                                            
CONECT   73   33                                                            
CONECT   74   34                                                            
CONECT   75   34                                                            
CONECT   76   35                                                            
CONECT   77   35                                                            
CONECT   78   37                                                            
MASTER        0    0    0    0    0    0    0    0   78    0  156    0
END

RDKit          3D

78 78  0  0  0  0  0  0  0  0999 V2000
    5.6580    0.3893   -3.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3061   -0.1082   -2.5482 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3030   -0.6635   -1.6524 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9396   -1.1840   -0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8054   -0.3167    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3186    0.9199    1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4240    1.6021    1.7184 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.4811    1.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6443    1.2898    3.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    0.4610    3.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0857    0.0797   -1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363    1.3125   -1.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457   -0.6728   -1.5145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6017   -0.0131   -1.3127 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2435    0.7593   -2.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0132    1.3935   -2.4141 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5226   -0.9555   -1.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8225   -2.2190   -1.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7450   -0.5907   -0.6067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8735   -1.4342   -0.2559 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6643   -2.2993    0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7385   -3.2405    1.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0378   -2.6805    1.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9482   -3.7904    2.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9209   -4.2931    3.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8177   -4.2899    1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6224   -5.2464    1.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -0.6974   -0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8953   -1.0666   -1.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    0.4027    0.3548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6051    0.9022    1.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
(2S)-N-[(1S)-2-Hydroxy-1-{[(1S)-1-{[(3S)-1-hydroxy-2-oxopiperidin-3-yl](methyl)carbamoyl}-4-(N-hydroxyformamido)butyl]-C-hydroxycarbonimidoyl}ethyl]-5-(N-hydroxyformamido)-2-(methylamino)pentanimidate	Generator

Chemical Formula

C₂₂H₃₉N₇O₁₀

Average Mass

561.5930 Da

Monoisotopic Mass

561.27584 Da

IUPAC Name

(2S)-2-[(2S)-3-hydroxy-2-[(2S)-5-(N-hydroxyformamido)-2-(methylamino)pentanamido]propanamido]-N-[(3S)-1-hydroxy-2-oxopiperidin-3-yl]-5-(N-hydroxyformamido)-N-methylpentanamide

Traditional Name

(2S)-2-[(2S)-3-hydroxy-2-[(2S)-5-(N-hydroxyformamido)-2-(methylamino)pentanamido]propanamido]-N-[(3S)-1-hydroxy-2-oxopiperidin-3-yl]-5-(N-hydroxyformamido)-N-methylpentanamide

CAS Registry Number

Not Available

SMILES

CN[C@@H](CCCN(O)C=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C=O)C(=O)N(C)[C@H]1CCCN(O)C1=O

InChI Identifier

InChI=1S/C22H39N7O10/c1-23-15(6-3-9-27(37)13-31)19(33)25-17(12-30)20(34)24-16(7-4-10-28(38)14-32)21(35)26(2)18-8-5-11-29(39)22(18)36/h13-18,23,30,37-39H,3-12H2,1-2H3,(H,24,34)(H,25,33)/t15-,16-,17-,18-/m0/s1

InChI Key

VJIWUTHTOFWQLT-XSLAGTTESA-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
Amycolatopsis	NPAtlas	29875351
Amycolatopsis albispora	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	-1.1	ALOGPS
logP	-5.7	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	8.26	ChemAxon
pKa (Strongest Basic)	7.82	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	232.39 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	133.74 m³·mol⁻¹	ChemAxon
Polarizability	56.2 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA023366

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

71044416

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139590648

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wu Q, Deering RW, Zhang G, Wang B, Li X, Sun J, Chen J, Zhang H, Rowley DC, Wang H: Albisporachelin, a New Hydroxamate Type Siderophore from the Deep Ocean Sediment-Derived Actinomycete Amycolatopsisalbispora WP1(T). Mar Drugs. 2018 Jun 7;16(6). pii: md16060199. doi: 10.3390/md16060199. [PubMed:29875351 ]

Showing NP-Card for Albisporachelin (NP0018229)

MOL for NP0018229 (Albisporachelin)

3D MOL for NP0018229 (Albisporachelin)

3D SDF for NP0018229 (Albisporachelin)

3D-SDF for NP0018229 (Albisporachelin)

PDB for NP0018229 (Albisporachelin)

3D PDB for NP0018229 (Albisporachelin)

SMILES for NP0018229 (Albisporachelin)

INCHI for NP0018229 (Albisporachelin)

Structure for NP0018229 (Albisporachelin)

3D Structure for NP0018229 (Albisporachelin)