Difference between revisions of "CPD-13227"
From metabolic_network
(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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| Line 3: | Line 3: | ||
* 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))) | ** 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))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 627.598 | ** 627.598 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N | ||
| + | * common name: | ||
| + | ** N,N',N''-triacetylchitotriose | ||
* Synonym(s): | * Synonym(s): | ||
** triacetylchitotriose | ** triacetylchitotriose | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.392429.html 392429] | ** [http://www.chemspider.com/Chemical-Structure.392429.html 392429] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71404 71404] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71404 71404] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10930193 10930193] | ||
{{#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=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: molecular weight=627.598 }} | {{#set: molecular weight=627.598 }} | ||
| + | {{#set: inchi key=InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N}} | ||
| + | {{#set: common name=N,N',N''-triacetylchitotriose}} | ||
{{#set: common name=triacetylchitotriose}} | {{#set: common name=triacetylchitotriose}} | ||
{{#set: produced by=RXN-12624|RXN-12623}} | {{#set: produced by=RXN-12624|RXN-12623}} | ||
Latest revision as of 14:55, 10 January 2019
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)))
- molecular weight:
- 627.598
- inchi key:
- InChIKey=WZZVUHWLNMNWLW-MEWKLCDLSA-N
- common name:
- N,N',N-triacetylchitotriose
- Synonym(s):
- triacetylchitotriose
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
