Difference between revisions of "CPD-2751"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2751 CPD-2751] == * smiles: ** C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2)) * common name: ** 5'-hydr...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2)) | ** C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2)) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 192.217 | ** 192.217 | ||
| + | * inchi key: | ||
| + | ** InChIKey=BBNHNZGTKSWIHD-SNVBAGLBSA-N | ||
| + | * common name: | ||
| + | ** 5'-hydroxycotinine | ||
* Synonym(s): | * Synonym(s): | ||
** allohydroxycotinine | ** allohydroxycotinine | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.7991265.html 7991265] | ** [http://www.chemspider.com/Chemical-Structure.7991265.html 7991265] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9815515 9815515] | ||
* HMDB : HMDB01427 | * HMDB : HMDB01427 | ||
{{#set: smiles=C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2))}} | {{#set: smiles=C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=192.217 }} | {{#set: molecular weight=192.217 }} | ||
| + | {{#set: inchi key=InChIKey=BBNHNZGTKSWIHD-SNVBAGLBSA-N}} | ||
| + | {{#set: common name=5'-hydroxycotinine}} | ||
{{#set: common name=allohydroxycotinine}} | {{#set: common name=allohydroxycotinine}} | ||
{{#set: produced by=RXN66-163}} | {{#set: produced by=RXN66-163}} | ||
Latest revision as of 14:18, 10 January 2019
Contents
Metabolite CPD-2751
- smiles:
- C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2))
- molecular weight:
- 192.217
- inchi key:
- InChIKey=BBNHNZGTKSWIHD-SNVBAGLBSA-N
- common name:
- 5'-hydroxycotinine
- Synonym(s):
- allohydroxycotinine
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
