Chlorophyllide a(2-)
PubChem CID: 139031813
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| Compound Synonyms | chlorophyllide a(2-), Q27156772 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 117.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | ZWNNMWIAWHWEJW-PVMVIUQGSA-J |
| Fcsp3 | 0.3142857142857143 |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 45.0 |
| Compound Name | Chlorophyllide a(2-) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 612.222 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 612.222 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1150.0 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 613.0 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | magnesium, 3-[(21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,24-diaza-7,25-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10,12,14,16,18(24),19-undecaen-22-yl]propanoate |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Inchi | InChI=1S/C35H36N4O5.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, /h8,12-14,17,21H,1,9-11H2,2-7H3,(H4,36,37,38,39,40,41,42,43), /q, +2/p-4/t17-,21-, /m0./s1 |
| Smiles | CCC1=C2C=C3C(=C4C(=C(C5=NC(=CC6=NC(=CC(=C1C)[N-]2)C(=C6C)C=C)[C@H]([C@@H]5CCC(=O)[O-])C)C(=C4[O-])C(=O)OC)[N-]3)C.[Mg+2] |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C35H32MgN4O5-2 |
- 1. Outgoing r'ship
FOUND_INto/from Physalis Philadelphica (Plant) Rel Props:Source_db:cmaup_ingredients