Difference between revisions of "CPD0-2123"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2123 CPD0-2123] == * smiles: ** CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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-] | ** CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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: | ||
** 931.738 | ** 931.738 | ||
| + | * inchi key: | ||
| + | ** InChIKey=AZCVXMAPLHSIKY-HSJNEKGZSA-J | ||
| + | * common name: | ||
| + | ** 3-oxodecanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| Line 14: | Line 14: | ||
* [[RXN-13617]] | * [[RXN-13617]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[ACACT4h]] | * [[ACACT4h]] | ||
| + | * [[RXN-12490]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
* [[ACACT4]] | * [[ACACT4]] | ||
| + | * [[HACD4h]] | ||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53262297 53262297] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53262297 53262297] | ||
| + | * REFMET : 3-oxodecanoyl-CoA | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62548 62548] | ||
* HMDB : HMDB03939 | * HMDB : HMDB03939 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05265 C05265] | ** [http://www.genome.jp/dbget-bin/www_bget?C05265 C05265] | ||
| − | |||
| − | |||
* METABOLIGHTS : MTBLC28528 | * METABOLIGHTS : MTBLC28528 | ||
| + | * BIGG : 3odcoa | ||
{{#set: smiles=CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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=CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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=931.738 }} | {{#set: molecular weight=931.738 }} | ||
| + | {{#set: inchi key=InChIKey=AZCVXMAPLHSIKY-HSJNEKGZSA-J}} | ||
| + | {{#set: common name=3-oxodecanoyl-CoA}} | ||
{{#set: consumed by=RXN-13617}} | {{#set: consumed by=RXN-13617}} | ||
| − | {{#set: produced by=RXN-12490 | + | {{#set: produced by=ACACT4h|RXN-12490}} |
| − | {{#set: reversible reaction associated= | + | {{#set: reversible reaction associated=ACACT4|HACD4h}} |
Latest revision as of 14:35, 10 January 2019
Contents
Metabolite CPD0-2123
- smiles:
- CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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:
- 931.738
- inchi key:
- InChIKey=AZCVXMAPLHSIKY-HSJNEKGZSA-J
- common name:
- 3-oxodecanoyl-CoA
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- REFMET : 3-oxodecanoyl-CoA
- CHEBI:
- HMDB : HMDB03939
- LIGAND-CPD:
- METABOLIGHTS : MTBLC28528
- BIGG : 3odcoa
"CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)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.
