NP-MRD: Showing NP-Card for Protochlorophyllide (NP0337424)

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Record Information

Version

2.0

Created at

2024-09-11 10:48:28 UTC

Updated at

2024-09-11 10:48:28 UTC

NP-MRD ID

NP0337424

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Protochlorophyllide

Description

Based on a literature review very few articles have been published on Protochlorophyllide.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262313202D          

 45 53  0  0  0  0            999 V2000
    1.0847   -4.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7153   -3.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5698   -2.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1399   -2.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1361   -3.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979   -3.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884   -2.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184   -2.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -2.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -1.6751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7073   -1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8939    0.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6938    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5473   -1.7294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1396   -1.1349    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    0.6214   -0.4861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5722    0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997    1.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    2.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2134    2.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0919   -1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -2.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -2.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3535   -1.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8301   -1.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860   -0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5919   -0.5699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803    0.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0559    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2638    1.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0622    1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    2.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826   -0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9577   -0.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3926    0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081    1.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5716    2.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343    3.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  2  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  2  0  0  0  0
 24 45  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 41  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 42  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 43  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  END


  Mrv2104 05262313202D          

 45 53  0  0  0  0            999 V2000
    1.0847   -4.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7153   -3.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5698   -2.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1399   -2.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1361   -3.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979   -3.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884   -2.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2184   -2.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -2.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -1.6751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7073   -1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8939    0.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6938    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5473   -1.7294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1396   -1.1349    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    0.6214   -0.4861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5722    0.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997    1.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    2.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2134    2.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0919   -1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -2.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -2.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3535   -1.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8301   -1.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4860   -0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5919   -0.5699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6803    0.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0559    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2638    1.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0622    1.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0619    2.8364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826   -0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9577   -0.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3926    0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081    1.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5716    2.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343    3.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  2  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  2  0  0  0  0
 24 45  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 41  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 42  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 43  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0337424

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1C(=O)C2=C3N4C(C=C5C(C=C)=C(C)C6=[N]5[Mg]44N5C(=CC7=[N]4C(C(CCC(O)=O)=C7C)=C13)C(C)=C(C=C)C5=C6)=C2C

> <INCHI_IDENTIFIER>
InChI=1/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;

> <INCHI_KEY>
YXBIPIDDNARELO-UAVVDGTINA-L

> <FORMULA>
C35H30MgN4O5

> <MOLECULAR_WEIGHT>
610.953

> <EXACT_MASS>
610.20666178

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
69.78686563590954

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[12,17-diethenyl-5-(methoxycarbonyl)-8,13,18,22-tetramethyl-6-oxo-2,25lambda4,26lambda4,27-tetraaza-1-magnesanonacyclo[12.11.1.1^{1,16}.0^{2,9}.0^{3,7}.0^{4,24}.0^{11,26}.0^{21,25}.0^{19,27}]heptacosa-3(7),4(24),8,10,12,14(26),15,17,19,21(25),22-undecaen-23-yl]propanoic acid

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_POLAR_SURFACE_AREA>
127.26

> <JCHEM_REFRACTIVITY>
179.64520000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-[12,17-diethenyl-5-(methoxycarbonyl)-8,13,18,22-tetramethyl-6-oxo-2,25lambda4,26lambda4,27-tetraaza-1-magnesanonacyclo[12.11.1.1^{1,16}.0^{2,9}.0^{3,7}.0^{4,24}.0^{11,26}.0^{21,25}.0^{19,27}]heptacosa-3(7),4(24),8,10,12,14(26),15,17,19,21(25),22-undecaen-23-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0       2.025  -7.865   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.202  -6.872   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.930  -5.356   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.994  -4.201   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.525  -4.371   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.121  -7.243   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.049  -5.705   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.912  -4.842   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.408  -5.531   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.619  -4.742   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.564  -3.127   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       3.187  -2.934   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.720  -1.898   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.003  -0.789   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.535   0.504   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.028   0.881   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -1.022  -3.228   0.000  0.00  0.00           N+0
HETATM   18 Mg   UNK     0       0.261  -2.118   0.000  0.00  0.00          Mg+0
HETATM   19  N   UNK     0       1.160  -0.907   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       1.068   0.660   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.214   1.586   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.617   3.073   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.106   3.467   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.509   4.953   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.998   5.347   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -5.772  -3.450   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.864  -4.694   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.333  -4.530   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.527  -3.393   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.416  -2.384   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.774  -1.127   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      -1.105  -1.064   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      -1.270   0.513   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.104   1.247   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.492   2.654   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.458   3.865   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       1.983   3.648   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -0.116   5.295   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.835   6.506   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.194  -0.118   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -3.654  -0.092   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -2.600   1.238   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -2.068   2.700   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -2.934   3.974   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       3.424   6.045   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4                                                            
CONECT    6    7                                                            
CONECT    7    6    8   28                                                  
CONECT    8    7    9   17                                                  
CONECT    9    8   10                                                       
CONECT   10    3    9   11                                                  
CONECT   11   10   12   18                                                  
CONECT   12    4   11   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16   21                                                  
CONECT   16   15                                                            
CONECT   17    8   18   29                                                  
CONECT   18   11   17   19   32                                             
CONECT   19   14   18   20                                                  
CONECT   20   19   21   34                                                  
CONECT   21   15   20   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   45                                                  
CONECT   25   24                                                            
CONECT   26   27                                                            
CONECT   27   26   28                                                       
CONECT   28    7   27   29                                                  
CONECT   29   17   28   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   41                                                  
CONECT   32   18   31   33                                                  
CONECT   33   32   34   42                                                  
CONECT   34   20   33   35                                                  
CONECT   35   34   36   43                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38                                                            
CONECT   40   41                                                            
CONECT   41   31   40   42                                                  
CONECT   42   33   41   43                                                  
CONECT   43   35   42   44                                                  
CONECT   44   43                                                            
CONECT   45   24                                                            
MASTER        0    0    0    0    0    0    0    0   45    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₃₀MgN₄O₅

Average Mass

610.9530 Da

Monoisotopic Mass

610.20666 Da

IUPAC Name

3-[12,17-diethenyl-5-(methoxycarbonyl)-8,13,18,22-tetramethyl-6-oxo-2,25lambda4,26lambda4,27-tetraaza-1-magnesanonacyclo[12.11.1.1^{1,16}.0^{2,9}.0^{3,7}.0^{4,24}.0^{11,26}.0^{21,25}.0^{19,27}]heptacosa-3(7),4(24),8,10,12,14(26),15,17,19,21(25),22-undecaen-23-yl]propanoic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)C1C(=O)C2=C3N4C(C=C5C(C=C)=C(C)C6=[N]5[Mg]44N5C(=CC7=[N]4C(C(CCC(O)=O)=C7C)=C13)C(C)=C(C=C)C5=C6)=C2C

InChI Identifier

InChI=1/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;

InChI Key

YXBIPIDDNARELO-UAVVDGTINA-L

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

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
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	127.26 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	179.65 m³·mol⁻¹	ChemAxon
Polarizability	69.79 Å³	ChemAxon
Number of Rings	9	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

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

Protochlorophyllide

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Protochlorophyllide (NP0337424)

MOL for NP0337424 (Protochlorophyllide)

3D MOL for NP0337424 (Protochlorophyllide)

3D SDF for NP0337424 (Protochlorophyllide)

3D-SDF for NP0337424 (Protochlorophyllide)

PDB for NP0337424 (Protochlorophyllide)

3D PDB for NP0337424 (Protochlorophyllide)

SMILES for NP0337424 (Protochlorophyllide)

INCHI for NP0337424 (Protochlorophyllide)

Structure for NP0337424 (Protochlorophyllide)

3D Structure for NP0337424 (Protochlorophyllide)