Difference between revisions of "CPD-208"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-208 CPD-208] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)COP(=O)(OP(=O)(...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-] | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 878.568 | ** 878.568 | ||
| + | * inchi key: | ||
| + | ** InChIKey=HJQWLHMLMCDAEL-ZTGLTYRUSA-I | ||
| + | * common name: | ||
| + | ** (S)-malyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** (3S)-3-carboxy-3-hydroxypropionyl-CoA | ** (3S)-3-carboxy-3-hydroxypropionyl-CoA | ||
| Line 21: | Line 21: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57317 57317] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266554 45266554] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266554 45266554] | ||
* HMDB : HMDB01021 | * HMDB : HMDB01021 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C04348 C04348] | ** [http://www.genome.jp/dbget-bin/www_bget?C04348 C04348] | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}} | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=878.568 }} | {{#set: molecular weight=878.568 }} | ||
| + | {{#set: inchi key=InChIKey=HJQWLHMLMCDAEL-ZTGLTYRUSA-I}} | ||
| + | {{#set: common name=(S)-malyl-CoA}} | ||
{{#set: common name=(3S)-3-carboxy-3-hydroxypropionyl-CoA|(3S)-3-carboxy-3-hydroxypropanoyl-CoA|(2S)-4-malyl-CoA|L-malyl-CoA|(2S)-malyl-CoA}} | {{#set: common name=(3S)-3-carboxy-3-hydroxypropionyl-CoA|(3S)-3-carboxy-3-hydroxypropanoyl-CoA|(2S)-4-malyl-CoA|L-malyl-CoA|(2S)-malyl-CoA}} | ||
{{#set: consumed by=RXN-14937}} | {{#set: consumed by=RXN-14937}} | ||
Latest revision as of 15:23, 10 January 2019
Contents
Metabolite CPD-208
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
- molecular weight:
- 878.568
- inchi key:
- InChIKey=HJQWLHMLMCDAEL-ZTGLTYRUSA-I
- common name:
- (S)-malyl-CoA
- Synonym(s):
- (3S)-3-carboxy-3-hydroxypropionyl-CoA
- (3S)-3-carboxy-3-hydroxypropanoyl-CoA
- (2S)-4-malyl-CoA
- L-malyl-CoA
- (2S)-malyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.
