Difference between revisions of "CPD-170"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-170 CPD-170] == * smiles: ** C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(...") |
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* smiles: | * smiles: | ||
** C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4)) | ** C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4)) | ||
| + | * molecular weight: | ||
| + | ** 666.583 | ||
* inchi key: | * inchi key: | ||
** InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N | ** InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N | ||
* common name: | * common name: | ||
** stachyose | ** stachyose | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | ** (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | ||
| Line 20: | Line 20: | ||
== External links == | == External links == | ||
* CAS : 10094-58-3 | * CAS : 10094-58-3 | ||
| − | |||
| − | |||
| − | |||
* HMDB : HMDB03553 | * HMDB : HMDB03553 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.388624.html 388624] | ** [http://www.chemspider.com/Chemical-Structure.388624.html 388624] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17164 17164] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17164 17164] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01613 C01613] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439531 439531] | ||
| + | * KEGG-GLYCAN : G00278 | ||
{{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))}} | {{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))}} | ||
| + | {{#set: molecular weight=666.583 }} | ||
{{#set: inchi key=InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N}} | {{#set: inchi key=InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N}} | ||
{{#set: common name=stachyose}} | {{#set: common name=stachyose}} | ||
| − | |||
{{#set: common name=(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf}} | {{#set: common name=(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf}} | ||
{{#set: consumed by=RXN-11501}} | {{#set: consumed by=RXN-11501}} | ||
{{#set: reversible reaction associated=2.4.1.67-RXN}} | {{#set: reversible reaction associated=2.4.1.67-RXN}} | ||
Latest revision as of 18:31, 9 January 2019
Contents
Metabolite CPD-170
- smiles:
- C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))
- molecular weight:
- 666.583
- inchi key:
- InChIKey=UQZIYBXSHAGNOE-XNSRJBNMSA-N
- common name:
- stachyose
- Synonym(s):
- (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 10094-58-3
- HMDB : HMDB03553
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
- KEGG-GLYCAN : G00278
{{#set: common name=(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf}}
