Difference between revisions of "CPD-13227"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14736 CPD-14736] == * smiles: ** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1) * inchi key: ** I...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13227 CPD-13227] == * smiles: ** CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13227 CPD-13227] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO))) |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N |
* common name: | * common name: | ||
| − | ** | + | ** chitotriose |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 627.598 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** triacetylchitotriose |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[RXN-12624]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10930193 10930193] |
| − | * | + | * CHEMSPIDER: |
| − | + | ** [http://www.chemspider.com/Chemical-Structure.392429.html 392429] | |
| − | ** [http://www. | + | |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71404 71404] |
| − | + | {{#set: smiles=CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))}} | |
| − | {{#set: smiles= | + | {{#set: inchi key=InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: common name=chitotriose}} |
| − | {{#set: common name= | + | {{#set: molecular weight=627.598 }} |
| − | {{#set: molecular weight= | + | {{#set: common name=triacetylchitotriose}} |
| − | {{#set: common name= | + | {{#set: produced by=RXN-12624}} |
| − | {{#set: | + | |
| − | + | ||
Latest revision as of 19:54, 21 March 2018
Contents
Metabolite CPD-13227
- smiles:
- CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))
- inchi key:
- InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N
- common name:
- chitotriose
- molecular weight:
- 627.598
- Synonym(s):
- triacetylchitotriose
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
