Difference between revisions of "CPD-1103"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1103 CPD-1103] == * smiles: ** C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N) * inchi key:...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N) | ** C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N) | ||
| + | * molecular weight: | ||
| + | ** 311.291 | ||
* inchi key: | * inchi key: | ||
** InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N | ** InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N | ||
* common name: | * common name: | ||
** taxiphyllin | ** taxiphyllin | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** (R)-4-hydroxymandelonitrile β-D-glucoside | ** (R)-4-hydroxymandelonitrile β-D-glucoside | ||
| Line 20: | Line 20: | ||
== External links == | == External links == | ||
* CAS : 21401-21-8 | * CAS : 21401-21-8 | ||
| − | |||
| − | |||
* HMDB : HMDB30704 | * HMDB : HMDB30704 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.96890.html 96890] | ** [http://www.chemspider.com/Chemical-Structure.96890.html 96890] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16267 16267] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16267 16267] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01855 C01855] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=107721 107721] | ||
{{#set: smiles=C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N)}} | {{#set: smiles=C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N)}} | ||
| + | {{#set: molecular weight=311.291 }} | ||
{{#set: inchi key=InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N}} | {{#set: inchi key=InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N}} | ||
{{#set: common name=taxiphyllin}} | {{#set: common name=taxiphyllin}} | ||
| − | |||
{{#set: common name=(R)-4-hydroxymandelonitrile β-D-glucoside|(2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile|(R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile}} | {{#set: common name=(R)-4-hydroxymandelonitrile β-D-glucoside|(2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile|(R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile}} | ||
{{#set: consumed by=RXN-13600}} | {{#set: consumed by=RXN-13600}} | ||
Latest revision as of 17:30, 9 January 2019
Contents
Metabolite CPD-1103
- smiles:
- C1(C=C(O)C=CC=1C(OC2(OC(CO)C(O)C(O)C(O)2))C#N)
- molecular weight:
- 311.291
- inchi key:
- InChIKey=NVLTYOJHPBMILU-GMDXDWKASA-N
- common name:
- taxiphyllin
- Synonym(s):
- (R)-4-hydroxymandelonitrile β-D-glucoside
- (2R)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
- (R)-alpha-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
