Difference between revisions of "CPD-653"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-653 CPD-653] == * smiles: ** C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O) | ** C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 681.445 | ** 681.445 | ||
| + | * inchi key: | ||
| + | ** InChIKey=IDBZKGQRLBFUFQ-VPHRTNKSSA-L | ||
| + | * common name: | ||
| + | ** (S)-NADHX | ||
* Synonym(s): | * Synonym(s): | ||
** (6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide | ** (6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide | ||
| Line 15: | Line 15: | ||
* [[4.2.1.93-RXN]] | * [[4.2.1.93-RXN]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[RXN-12752]] | * [[RXN-12752]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=64074 64074] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203523 25203523] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203523 25203523] | ||
* HMDB : HMDB59644 | * HMDB : HMDB59644 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C04856 C04856] | ** [http://www.genome.jp/dbget-bin/www_bget?C04856 C04856] | ||
{{#set: smiles=C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)}} | {{#set: smiles=C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=681.445 }} | {{#set: molecular weight=681.445 }} | ||
| + | {{#set: inchi key=InChIKey=IDBZKGQRLBFUFQ-VPHRTNKSSA-L}} | ||
| + | {{#set: common name=(S)-NADHX}} | ||
{{#set: common name=(6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide}} | {{#set: common name=(6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide}} | ||
{{#set: consumed by=4.2.1.93-RXN}} | {{#set: consumed by=4.2.1.93-RXN}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=RXN-12752}} |
Latest revision as of 15:55, 10 January 2019
Contents
Metabolite CPD-653
- smiles:
- C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)
- molecular weight:
- 681.445
- inchi key:
- InChIKey=IDBZKGQRLBFUFQ-VPHRTNKSSA-L
- common name:
- (S)-NADHX
- Synonym(s):
- (6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)" cannot be used as a page name in this wiki.
