Difference between revisions of "CPD-11410"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11410 CPD-11410] == * smiles: ** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-]...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3)) | ** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3)) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 796.046 | ** 796.046 | ||
| + | * inchi key: | ||
| + | ** InChIKey=VXVBZMWOWMHXTQ-KFYUBCHVSA-L | ||
| + | * common name: | ||
| + | ** triiodothyroacetate ether glucuronide | ||
* Synonym(s): | * Synonym(s): | ||
** triiodothyroacetic acid ether glucuronide | ** triiodothyroacetic acid ether glucuronide | ||
| Line 20: | Line 20: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659025 90659025] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659025 90659025] | ||
{{#set: smiles=C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))}} | {{#set: smiles=C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=796.046 }} | {{#set: molecular weight=796.046 }} | ||
| + | {{#set: inchi key=InChIKey=VXVBZMWOWMHXTQ-KFYUBCHVSA-L}} | ||
| + | {{#set: common name=triiodothyroacetate ether glucuronide}} | ||
{{#set: common name=triiodothyroacetic acid ether glucuronide}} | {{#set: common name=triiodothyroacetic acid ether glucuronide}} | ||
{{#set: produced by=RXN-10619}} | {{#set: produced by=RXN-10619}} | ||
Latest revision as of 14:14, 10 January 2019
Contents
Metabolite CPD-11410
- smiles:
- C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))
- molecular weight:
- 796.046
- inchi key:
- InChIKey=VXVBZMWOWMHXTQ-KFYUBCHVSA-L
- common name:
- triiodothyroacetate ether glucuronide
- Synonym(s):
- triiodothyroacetic acid ether glucuronide
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))" cannot be used as a page name in this wiki.
