NP-MRD: Showing NP-Card for Mycosporine-2-glycine (NP0006299)

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Record Information

Version

2.0

Created at

2020-12-09 03:21:20 UTC

Updated at

2021-07-15 16:54:24 UTC

NP-MRD ID

NP0006299

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Mycosporine-2-glycine

Provided By

NPAtlas

Description

2-({3-[(Carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene}amino)acetic acid belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Mycosporine-2-glycine is found in Cyanobacterium. Mycosporine-2-glycine was first documented in 2002 (PMID: 11959442). Based on a literature review very few articles have been published on 2-({3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene}amino)acetic acid (PMID: 16630254) (PMID: 31164584) (PMID: 31132117) (PMID: 31013795) (PMID: 30502329) (PMID: 29947423).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242121123D          

 39 39  0  0  0  0            999 V2000
    1.0340    2.6558   -1.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    1.5284   -1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    0.4848   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1723    0.2292   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    1.0987   -0.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173    2.2652    0.2458 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7237    2.9460   -0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    2.4908   -1.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652    4.0942    0.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626   -0.8705    0.8347 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5639   -2.0593    0.6888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6188   -2.7852    1.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432   -2.9745   -0.3971 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4394   -3.3392   -0.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360   -1.7559    0.3278 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1150   -0.3954   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205    0.0441   -0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -0.8321    0.3109 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6865   -0.2925   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285    0.7800   -0.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384   -0.9984    0.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575    2.3380   -0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394    3.4241   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    3.1260   -0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7251    0.8583   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775    2.0191    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    2.9976    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724    5.0054    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -1.1845    0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -0.4765    1.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -2.2861    2.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -3.8957   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -2.4393   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5331   -4.0691    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -1.9629    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -2.4733   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -1.8727   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283   -0.8566    1.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012   -0.5661    0.4701 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  2  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  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 16  3  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
    1.0340    2.6558   -1.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    1.5284   -1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    0.4848   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1723    0.2292   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    1.0987   -0.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173    2.2652    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7237    2.9460   -0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    2.4908   -1.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652    4.0942    0.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626   -0.8705    0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639   -2.0593    0.6888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6188   -2.7852    1.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432   -2.9745   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394   -3.3392   -0.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360   -1.7559    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1150   -0.3954   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205    0.0441   -0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -0.8321    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865   -0.2925   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285    0.7800   -0.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384   -0.9984    0.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575    2.3380   -0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394    3.4241   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    3.1260   -0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7251    0.8583   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775    2.0191    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    2.9976    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724    5.0054    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -1.1845    0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -0.4765    1.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -2.2861    2.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -3.8957   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -2.4393   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5331   -4.0691    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -1.9629    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -2.4733   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -1.8727   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283   -0.8566    1.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012   -0.5661    0.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  4 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 16  3  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 18 37  1  0
 18 38  1  0
 21 39  1  0
M  END


  Mrv1652306242121123D          

 39 39  0  0  0  0            999 V2000
    1.0340    2.6558   -1.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    1.5284   -1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    0.4848   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1723    0.2292   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    1.0987   -0.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173    2.2652    0.2458 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7237    2.9460   -0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    2.4908   -1.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652    4.0942    0.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626   -0.8705    0.8347 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5639   -2.0593    0.6888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6188   -2.7852    1.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432   -2.9745   -0.3971 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4394   -3.3392   -0.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360   -1.7559    0.3278 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1150   -0.3954   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205    0.0441   -0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -0.8321    0.3109 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6865   -0.2925   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285    0.7800   -0.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384   -0.9984    0.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575    2.3380   -0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394    3.4241   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    3.1260   -0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7251    0.8583   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775    2.0191    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    2.9976    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724    5.0054    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -1.1845    0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -0.4765    1.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -2.2861    2.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -3.8957   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -2.4393   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5331   -4.0691    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -1.9629    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -2.4733   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -1.8727   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283   -0.8566    1.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012   -0.5661    0.4701 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  2  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  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 16  3  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0006299

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C([H])([H])\N=C1\C(OC([H])([H])[H])=C(N([H])C([H])([H])C(=O)O[H])C([H])([H])[C@@](O[H])(C([H])([H])O[H])C1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C12H18N2O7/c1-21-11-7(13-4-9(16)17)2-12(20,6-15)3-8(11)14-5-10(18)19/h13,15,20H,2-6H2,1H3,(H,16,17)(H,18,19)/b14-8+/t12-/m0/s1

> <INCHI_KEY>
NCZZDMCBYGVEGP-UHFFFAOYSA-N

> <FORMULA>
C12H18N2O7

> <MOLECULAR_WEIGHT>
302.283

> <EXACT_MASS>
302.111400928

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
29.284589921465333

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[(3E,5S)-3-[(carboxymethyl)imino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}acetic acid

> <ALOGPS_LOGP>
-1.07

> <JCHEM_LOGP>
-5.361624700877045

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.845963103833942

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.764303113254189

> <JCHEM_PKA_STRONGEST_BASIC>
6.66179524791461

> <JCHEM_POLAR_SURFACE_AREA>
148.68

> <JCHEM_REFRACTIVITY>
71.3145

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.90e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[(3E,5S)-3-[(carboxymethyl)imino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
    1.0340    2.6558   -1.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    1.5284   -1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    0.4848   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1723    0.2292   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    1.0987   -0.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173    2.2652    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7237    2.9460   -0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    2.4908   -1.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652    4.0942    0.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626   -0.8705    0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639   -2.0593    0.6888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6188   -2.7852    1.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432   -2.9745   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394   -3.3392   -0.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360   -1.7559    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1150   -0.3954   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205    0.0441   -0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -0.8321    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865   -0.2925   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285    0.7800   -0.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384   -0.9984    0.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575    2.3380   -0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394    3.4241   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    3.1260   -0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7251    0.8583   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775    2.0191    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    2.9976    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724    5.0054    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -1.1845    0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -0.4765    1.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -2.2861    2.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -3.8957   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -2.4393   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5331   -4.0691    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -1.9629    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -2.4733   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -1.8727   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283   -0.8566    1.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012   -0.5661    0.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  4 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 16  3  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 18 37  1  0
 18 38  1  0
 21 39  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       1.034   2.656  -1.006  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.246   1.528  -1.396  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.021   0.485  -0.542  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.172   0.229  -0.078  0.00  0.00           C+0
HETATM    5  N   UNK     0      -2.234   1.099  -0.510  0.00  0.00           N+0
HETATM    6  C   UNK     0      -2.617   2.265   0.246  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.724   2.946  -0.445  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.176   2.491  -1.512  0.00  0.00           O+0
HETATM    9  O   UNK     0      -4.265   4.094   0.088  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.463  -0.871   0.835  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.564  -2.059   0.689  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.619  -2.785   1.879  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.143  -2.974  -0.397  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.439  -3.339  -0.136  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.836  -1.756   0.328  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.115  -0.395  -0.109  0.00  0.00           C+0
HETATM   17  N   UNK     0       2.321   0.044  -0.118  0.00  0.00           N+0
HETATM   18  C   UNK     0       3.386  -0.832   0.311  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.686  -0.293  -0.135  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.729   0.780  -0.785  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.838  -0.998   0.183  0.00  0.00           O+0
HETATM   22  H   UNK     0       2.058   2.338  -0.742  0.00  0.00           H+0
HETATM   23  H   UNK     0       1.039   3.424  -1.802  0.00  0.00           H+0
HETATM   24  H   UNK     0       0.595   3.126  -0.104  0.00  0.00           H+0
HETATM   25  H   UNK     0      -2.725   0.858  -1.397  0.00  0.00           H+0
HETATM   26  H   UNK     0      -2.878   2.019   1.298  0.00  0.00           H+0
HETATM   27  H   UNK     0      -1.762   2.998   0.327  0.00  0.00           H+0
HETATM   28  H   UNK     0      -3.872   5.005   0.029  0.00  0.00           H+0
HETATM   29  H   UNK     0      -2.518  -1.185   0.680  0.00  0.00           H+0
HETATM   30  H   UNK     0      -1.426  -0.477   1.888  0.00  0.00           H+0
HETATM   31  H   UNK     0      -0.091  -2.286   2.569  0.00  0.00           H+0
HETATM   32  H   UNK     0      -0.537  -3.896  -0.512  0.00  0.00           H+0
HETATM   33  H   UNK     0      -1.109  -2.439  -1.380  0.00  0.00           H+0
HETATM   34  H   UNK     0      -2.533  -4.069   0.501  0.00  0.00           H+0
HETATM   35  H   UNK     0       1.498  -1.963   1.220  0.00  0.00           H+0
HETATM   36  H   UNK     0       1.224  -2.473  -0.454  0.00  0.00           H+0
HETATM   37  H   UNK     0       3.213  -1.873  -0.054  0.00  0.00           H+0
HETATM   38  H   UNK     0       3.328  -0.857   1.439  0.00  0.00           H+0
HETATM   39  H   UNK     0       6.701  -0.566   0.470  0.00  0.00           H+0
CONECT    1    2   22   23   24                                             
CONECT    2    1    3                                                       
CONECT    3    2    4   16                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6   25                                                  
CONECT    6    5    7   26   27                                             
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   28                                                       
CONECT   10    4   11   29   30                                             
CONECT   11   10   12   13   15                                             
CONECT   12   11   31                                                       
CONECT   13   11   14   32   33                                             
CONECT   14   13   34                                                       
CONECT   15   11   16   35   36                                             
CONECT   16   15   17    3                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   37   38                                             
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   39                                                       
CONECT   22    1                                                            
CONECT   23    1                                                            
CONECT   24    1                                                            
CONECT   25    5                                                            
CONECT   26    6                                                            
CONECT   27    6                                                            
CONECT   28    9                                                            
CONECT   29   10                                                            
CONECT   30   10                                                            
CONECT   31   12                                                            
CONECT   32   13                                                            
CONECT   33   13                                                            
CONECT   34   14                                                            
CONECT   35   15                                                            
CONECT   36   15                                                            
CONECT   37   18                                                            
CONECT   38   18                                                            
CONECT   39   21                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   78    0
END

RDKit          3D

39 39  0  0  0  0  0  0  0  0999 V2000
    1.0340    2.6558   -1.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    1.5284   -1.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0211    0.4848   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1723    0.2292   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    1.0987   -0.5102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6173    2.2652    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7237    2.9460   -0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1760    2.4908   -1.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652    4.0942    0.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4626   -0.8705    0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639   -2.0593    0.6888 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6188   -2.7852    1.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432   -2.9745   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394   -3.3392   -0.1360 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360   -1.7559    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1150   -0.3954   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205    0.0441   -0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859   -0.8321    0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865   -0.2925   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285    0.7800   -0.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384   -0.9984    0.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575    2.3380   -0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394    3.4241   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    3.1260   -0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7251    0.8583   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8775    2.0191    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7624    2.9976    0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724    5.0054    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -1.1845    0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -0.4765    1.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -2.2861    2.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5368   -3.8957   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092   -2.4393   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5331   -4.0691    0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983   -1.9629    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -2.4733   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2135   -1.8727   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283   -0.8566    1.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7012   -0.5661    0.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  4 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 11 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 16  3  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  5 25  1  0
  6 26  1  0
  6 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 18 37  1  0
 18 38  1  0
 21 39  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
2-({3-[(carboxymethyl)amino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene}amino)acetate	Generator

Chemical Formula

C₁₂H₁₈N₂O₇

Average Mass

302.2830 Da

Monoisotopic Mass

302.11140 Da

IUPAC Name

2-{[(3E,5S)-3-[(carboxymethyl)imino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}acetic acid

Traditional Name

{[(3E,5S)-3-[(carboxymethyl)imino]-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-1-en-1-yl]amino}acetic acid

CAS Registry Number

Not Available

SMILES

COC1=C(CC(O)(CO)CC1=NCC(O)=O)NCC(O)=O

InChI Identifier

InChI=1S/C12H18N2O7/c1-21-11-7(13-4-9(16)17)2-12(20,6-15)3-8(11)14-5-10(18)19/h13,15,20H,2-6H2,1H3,(H,16,17)(H,18,19)

InChI Key

NCZZDMCBYGVEGP-UHFFFAOYSA-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
Cyanobacterium	NPAtlas	16630254

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Dicarboxylic acid or derivatives
Azomethine
Tertiary alcohol
Secondary ketimine
1,2-diol
Amino acid
Ketimine
Carboxylic acid
Secondary aliphatic amine
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Secondary amine
Enamine
Organic nitrogen compound
Organonitrogen compound
Imine
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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	-1.1	ALOGPS
logP	-5.4	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	1.76	ChemAxon
pKa (Strongest Basic)	6.66	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	148.68 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	71.31 m³·mol⁻¹	ChemAxon
Polarizability	29.28 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA014361

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

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

23427657

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Volkmann M, Gorbushina AA, Kedar L, Oren A: Structure of euhalothece-362, a novel red-shifted mycosporine-like amino acid, from a halophilic cyanobacterium (Euhalothece sp.). FEMS Microbiol Lett. 2006 May;258(1):50-4. doi: 10.1111/j.1574-6968.2006.00203.x. [PubMed:16630254 ]
Ngoennet S, Nishikawa Y, Hibino T, Waditee-Sirisattha R, Kageyama H: A Method for the Isolation and Characterization of Mycosporine-Like Amino Acids from Cyanobacteria. Methods Protoc. 2018 Dec 3;1(4). pii: mps1040046. doi: 10.3390/mps1040046. [PubMed:31164584 ]
Pingkhanont P, Tarasuntisuk S, Hibino T, Kageyama H, Waditee-Sirisattha R: Expression of a stress-responsive gene cluster for mycosporine-2-glycine confers oxidative stress tolerance in Synechococcus elongatus PCC7942. FEMS Microbiol Lett. 2019 May 1;366(9). pii: 5499022. doi: 10.1093/femsle/fnz115. [PubMed:31132117 ]
Kageyama H, Waditee-Sirisattha R: Antioxidative, Anti-Inflammatory, and Anti-Aging Properties of Mycosporine-Like Amino Acids: Molecular and Cellular Mechanisms in the Protection of Skin-Aging. Mar Drugs. 2019 Apr 12;17(4). pii: md17040222. doi: 10.3390/md17040222. [PubMed:31013795 ]
Tarasuntisuk S, Palaga T, Kageyama H, Waditee-Sirisattha R: Mycosporine-2-glycine exerts anti-inflammatory and antioxidant effects in lipopolysaccharide (LPS)-stimulated RAW 264.7 macrophages. Arch Biochem Biophys. 2019 Feb 15;662:33-39. doi: 10.1016/j.abb.2018.11.026. Epub 2018 Nov 28. [PubMed:30502329 ]
Tarasuntisuk S, Patipong T, Hibino T, Waditee-Sirisattha R, Kageyama H: Inhibitory effects of mycosporine-2-glycine isolated from a halotolerant cyanobacterium on protein glycation and collagenase activity. Lett Appl Microbiol. 2018 Sep;67(3):314-320. doi: 10.1111/lam.13041. Epub 2018 Jul 17. [PubMed:29947423 ]
Cheewinthamrongrod V, Kageyama H, Palaga T, Takabe T, Waditee-Sirisattha R: DNA damage protecting and free radical scavenging properties of mycosporine-2-glycine from the Dead Sea cyanobacterium in A375 human melanoma cell lines. J Photochem Photobiol B. 2016 Nov;164:289-295. doi: 10.1016/j.jphotobiol.2016.09.037. Epub 2016 Sep 29. [PubMed:27718421 ]
Waditee-Sirisattha R, Kageyama H, Fukaya M, Rai V, Takabe T: Nitrate and amino acid availability affects glycine betaine and mycosporine-2-glycine in response to changes of salinity in a halotolerant cyanobacterium Aphanothece halophytica. FEMS Microbiol Lett. 2015 Dec;362(23):fnv198. doi: 10.1093/femsle/fnv198. Epub 2015 Oct 15. [PubMed:26474598 ]
Waditee-Sirisattha R, Kageyama H, Sopun W, Tanaka Y, Takabe T: Identification and upregulation of biosynthetic genes required for accumulation of Mycosporine-2-glycine under salt stress conditions in the halotolerant cyanobacterium Aphanothece halophytica. Appl Environ Microbiol. 2014 Mar;80(5):1763-9. doi: 10.1128/AEM.03729-13. Epub 2013 Dec 27. [PubMed:24375141 ]
Gao Q, Garcia-Pichel F: An ATP-grasp ligase involved in the last biosynthetic step of the iminomycosporine shinorine in Nostoc punctiforme ATCC 29133. J Bacteriol. 2011 Nov;193(21):5923-8. doi: 10.1128/JB.05730-11. Epub 2011 Sep 2. [PubMed:21890703 ]
Sommaruga R, Whitehead K, Shick JM, Lobban CS: Mycosporine-like amino acids in the zooxanthella-ciliate symbiosis Maristentor dinoferus. Protist. 2006 Jun;157(2):185-91. doi: 10.1016/j.protis.2006.01.002. Epub 2006 Apr 19. [PubMed:16621697 ]
Przeslawski R, Benkendorff K, Davis AR: A quantitative survey of mycosporine-like amino acids (MAAS) in intertidal egg masses from temperate rocky shores. J Chem Ecol. 2005 Oct;31(10):2417-38. doi: 10.1007/s10886-005-7110-3. Epub 2005 Sep 28. [PubMed:16195852 ]
Montero O, Lubian LM: Mycosporine-like amino acid (MAAs) production by Heterocapasa sp. (Dinophyceae) in indoor cultures. Biomol Eng. 2003 Jul;20(4-6):183-9. doi: 10.1016/s1389-0344(03)00050-9. [PubMed:12919796 ]
Kedar L, Kashman Y, Oren A: Mycosporine-2-glycine is the major mycosporine-like amino acid in a unicellular cyanobacterium (Euhalothece sp.) isolated from a gypsum crust in a hypersaline saltern pond. FEMS Microbiol Lett. 2002 Mar 5;208(2):233-7. doi: 10.1111/j.1574-6968.2002.tb11087.x. [PubMed:11959442 ]

Showing NP-Card for Mycosporine-2-glycine (NP0006299)

MOL for NP0006299 (Mycosporine-2-glycine)

3D MOL for NP0006299 (Mycosporine-2-glycine)

3D SDF for NP0006299 (Mycosporine-2-glycine)

3D-SDF for NP0006299 (Mycosporine-2-glycine)

PDB for NP0006299 (Mycosporine-2-glycine)

3D PDB for NP0006299 (Mycosporine-2-glycine)

SMILES for NP0006299 (Mycosporine-2-glycine)

INCHI for NP0006299 (Mycosporine-2-glycine)

Structure for NP0006299 (Mycosporine-2-glycine)

3D Structure for NP0006299 (Mycosporine-2-glycine)