Difference between revisions of "CPD-1099"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1099 CPD-1099] == * smiles: ** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O) | ** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O) | ||
| + | * molecular weight: | ||
| + | ** 504.441 | ||
* inchi key: | * inchi key: | ||
** InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N | ** InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N | ||
* common name: | * common name: | ||
** raffinose | ** raffinose | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** melitose | ** melitose | ||
| Line 22: | Line 22: | ||
* [[RXN-11502]] | * [[RXN-11502]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[2.4.1.82-RXN]] | * [[2.4.1.82-RXN]] | ||
| + | * [[RXN-11501]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
* [[2.4.1.67-RXN]] | * [[2.4.1.67-RXN]] | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC16634 | ||
* CAS : 512-69-6 | * CAS : 512-69-6 | ||
| − | |||
| − | |||
| − | |||
* HMDB : HMDB03213 | * HMDB : HMDB03213 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.388379.html 388379] | ** [http://www.chemspider.com/Chemical-Structure.388379.html 388379] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16634 16634] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16634 16634] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00492 C00492] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439242 439242] | ||
| + | * KEGG-GLYCAN : G00249 | ||
{{#set: smiles=C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)}} | {{#set: smiles=C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)}} | ||
| + | {{#set: molecular weight=504.441 }} | ||
{{#set: inchi key=InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N}} | {{#set: inchi key=InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N}} | ||
{{#set: common name=raffinose}} | {{#set: common name=raffinose}} | ||
| − | |||
{{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}} | {{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}} | ||
{{#set: consumed by=RXN-11502}} | {{#set: consumed by=RXN-11502}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=2.4.1.82-RXN|RXN-11501}} |
{{#set: reversible reaction associated=2.4.1.67-RXN}} | {{#set: reversible reaction associated=2.4.1.67-RXN}} | ||
Latest revision as of 15:17, 9 January 2019
Contents
Metabolite CPD-1099
- smiles:
- C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)
- molecular weight:
- 504.441
- inchi key:
- InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
- common name:
- raffinose
- Synonym(s):
- melitose
- melitriose
- gossypose
- 6G-α-D-galactosylsucrose
- (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
- α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside
- D-raffinose
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC16634
- CAS : 512-69-6
- HMDB : HMDB03213
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
- KEGG-GLYCAN : G00249
{{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}}
