Difference between revisions of "CPD-18780"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18780 CPD-18780] == * smiles: ** C(O)C1(O)(C(O)C(O)C(O)C(=O)C1) * inchi key: ** InChIKey=JC...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(O)C1(O)(C(O)C(O)C(O)C(=O)C1) | ** C(O)C1(O)(C(O)C(O)C(O)C(=O)C1) | ||
| + | * molecular weight: | ||
| + | ** 192.168 | ||
* inchi key: | * inchi key: | ||
** InChIKey=JCZFNXYQGNLHDQ-JWXFUTCRSA-N | ** InChIKey=JCZFNXYQGNLHDQ-JWXFUTCRSA-N | ||
* common name: | * common name: | ||
** 2-epi-valiolone | ** 2-epi-valiolone | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** (2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one | ** (2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one | ||
| Line 18: | Line 18: | ||
== External links == | == External links == | ||
{{#set: smiles=C(O)C1(O)(C(O)C(O)C(O)C(=O)C1)}} | {{#set: smiles=C(O)C1(O)(C(O)C(O)C(O)C(=O)C1)}} | ||
| + | {{#set: molecular weight=192.168 }} | ||
{{#set: inchi key=InChIKey=JCZFNXYQGNLHDQ-JWXFUTCRSA-N}} | {{#set: inchi key=InChIKey=JCZFNXYQGNLHDQ-JWXFUTCRSA-N}} | ||
{{#set: common name=2-epi-valiolone}} | {{#set: common name=2-epi-valiolone}} | ||
| − | |||
{{#set: common name=(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one}} | {{#set: common name=(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one}} | ||
{{#set: produced by=RXN-17373}} | {{#set: produced by=RXN-17373}} | ||
Latest revision as of 16:13, 9 January 2019
Contents
Metabolite CPD-18780
- smiles:
- C(O)C1(O)(C(O)C(O)C(O)C(=O)C1)
- molecular weight:
- 192.168
- inchi key:
- InChIKey=JCZFNXYQGNLHDQ-JWXFUTCRSA-N
- common name:
- 2-epi-valiolone
- Synonym(s):
- (2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
