BMCCPPPC0002
From Metabolomics.JP
Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMCC Conjugated cycle 共役環 : BMCCPP porphyrin ring ポルフィリン環 : BMCCPPPC precorrin プレコリン (7 pages)
IDs and Links | |
---|---|
LipidBank | [1] |
LipidMaps | [2] |
CAS | 114019-24-8 |
KEGG | C05772 |
KNApSAcK | |
CDX file | |
MOL file | BMCCPPPC0002.mol |
Precorrin 3A | |
---|---|
Structural Information | |
Systematic Name | 3- [(1Z,2S,3S,4Z,7S,8S,9Z) -7,13,17-Tris(2-carboxyethyl) -3,8,12,18-tetrakis(carboxymethyl) -3,8,10-trimethyl-2,7,15,21,23,24-hexahydroporphyrin-2-yl] propanoic acid |
Common Name |
|
Symbol | |
Formula | C43H50N4O16 |
Exact Mass | 878.3221 |
Average Mass | 878.8744 |
SMILES | C(O)(=O)CCc(c41)c(c(C(=C([C@@](C)5CC(O)=O)NC([C@H] |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |
Related Atomic Mappings, Enzymes, and Pathways