Difference between revisions of "CPD-352"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-352 CPD-352] == * smiles: ** CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4))) * com...") |
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* smiles: | * smiles: | ||
** CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4))) | ** CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4))) | ||
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* molecular weight: | * molecular weight: | ||
** 272.386 | ** 272.386 | ||
| + | * inchi key: | ||
| + | ** InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N | ||
| + | * common name: | ||
| + | ** 17β-estradiol | ||
* Synonym(s): | * Synonym(s): | ||
** estradiol | ** estradiol | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
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* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.5554.html 5554] | ** [http://www.chemspider.com/Chemical-Structure.5554.html 5554] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16469 16469] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16469 16469] | ||
| + | * DRUGBANK : DB00783 | ||
| + | * REFMET : Beta-estradiol | ||
| + | * LIPID_MAPS : LMST02010001 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5757 5757] | ||
* METABOLIGHTS : MTBLC16469 | * METABOLIGHTS : MTBLC16469 | ||
| + | * CAS : 50-28-2 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00951 C00951] | ||
| + | * HMDB : HMDB00151 | ||
{{#set: smiles=CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))}} | {{#set: smiles=CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=272.386 }} | {{#set: molecular weight=272.386 }} | ||
| + | {{#set: inchi key=InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N}} | ||
| + | {{#set: common name=17β-estradiol}} | ||
{{#set: common name=estradiol|β-estradiol|oestradiol}} | {{#set: common name=estradiol|β-estradiol|oestradiol}} | ||
{{#set: produced by=ESTRADIOL-17-BETA-DEHYDROGENASE-RXN}} | {{#set: produced by=ESTRADIOL-17-BETA-DEHYDROGENASE-RXN}} | ||
Latest revision as of 12:18, 10 January 2019
Contents
Metabolite CPD-352
- smiles:
- CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))
- molecular weight:
- 272.386
- inchi key:
- InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N
- common name:
- 17β-estradiol
- Synonym(s):
- estradiol
- β-estradiol
- oestradiol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- CHEBI:
- DRUGBANK : DB00783
- REFMET : Beta-estradiol
- LIPID_MAPS : LMST02010001
- PUBCHEM:
- METABOLIGHTS : MTBLC16469
- CAS : 50-28-2
- LIGAND-CPD:
- HMDB : HMDB00151
"CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))" cannot be used as a page name in this wiki.
