Difference between revisions of "CPD-19220"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19220 CPD-19220] == * smiles: ** C(O)C1(O)(CC(=O)C(O)=C(O)C1) * common name: ** (S)-demethy...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(O)C1(O)(CC(=O)C(O)=C(O)C1) | ** C(O)C1(O)(CC(=O)C(O)=C(O)C1) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 174.153 | ** 174.153 | ||
| + | * inchi key: | ||
| + | ** InChIKey=OWHGXOODGNBQRG-ZETCQYMHSA-N | ||
| + | * common name: | ||
| + | ** (S)-demethyl-4-deoxygadusol | ||
* Synonym(s): | * Synonym(s): | ||
** (5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one | ** (5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one | ||
| Line 19: | Line 19: | ||
== External links == | == External links == | ||
{{#set: smiles=C(O)C1(O)(CC(=O)C(O)=C(O)C1)}} | {{#set: smiles=C(O)C1(O)(CC(=O)C(O)=C(O)C1)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=174.153 }} | {{#set: molecular weight=174.153 }} | ||
| + | {{#set: inchi key=InChIKey=OWHGXOODGNBQRG-ZETCQYMHSA-N}} | ||
| + | {{#set: common name=(S)-demethyl-4-deoxygadusol}} | ||
{{#set: common name=(5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one}} | {{#set: common name=(5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one}} | ||
{{#set: consumed by=RXN-17896}} | {{#set: consumed by=RXN-17896}} | ||
{{#set: reversible reaction associated=RXN-17895}} | {{#set: reversible reaction associated=RXN-17895}} | ||
Latest revision as of 16:50, 9 January 2019
Contents
Metabolite CPD-19220
- smiles:
- C(O)C1(O)(CC(=O)C(O)=C(O)C1)
- molecular weight:
- 174.153
- inchi key:
- InChIKey=OWHGXOODGNBQRG-ZETCQYMHSA-N
- common name:
- (S)-demethyl-4-deoxygadusol
- Synonym(s):
- (5S)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one
