Difference between revisions of "K-HEXANOYL-COA"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCC(CC(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-])=O)=O | ** CCCC(CC(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-])=O)=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 875.63 | ** 875.63 | ||
| + | * inchi key: | ||
| + | ** InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J | ||
| + | * common name: | ||
| + | ** 3-oxohexanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** ketohexanoyl-CoA | ** ketohexanoyl-CoA | ||
| Line 18: | Line 18: | ||
* [[RXN-12570]] | * [[RXN-12570]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[ACACT2h]] | * [[ACACT2h]] | ||
| + | * [[RXN-12565]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
* [[HACD2h]] | * [[HACD2h]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53239804 53239804] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53239804 53239804] | ||
| − | * | + | * REFMET : 3-oxohexanoyl-CoA |
| − | + | ||
| − | + | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62418 62418] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62418 62418] | ||
| + | * CAS : 19774-86-8 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05269 C05269] | ||
| + | * HMDB : HMDB03943 | ||
* METABOLIGHTS : MTBLC27648 | * METABOLIGHTS : MTBLC27648 | ||
| + | * BIGG : 3ohcoa | ||
{{#set: smiles=CCCC(CC(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-])=O)=O}} | {{#set: smiles=CCCC(CC(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-])=O)=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=875.63 }} | {{#set: molecular weight=875.63 }} | ||
| + | {{#set: inchi key=InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J}} | ||
| + | {{#set: common name=3-oxohexanoyl-CoA}} | ||
{{#set: common name=ketohexanoyl-CoA|β-hexanoyl-CoA|ketohexanoyl-coenzyme-A|3-ketohexanoyl-CoA}} | {{#set: common name=ketohexanoyl-CoA|β-hexanoyl-CoA|ketohexanoyl-coenzyme-A|3-ketohexanoyl-CoA}} | ||
{{#set: consumed by=RXN-12570}} | {{#set: consumed by=RXN-12570}} | ||
| − | {{#set: produced by=RXN-12565 | + | {{#set: produced by=ACACT2h|RXN-12565}} |
{{#set: reversible reaction associated=HACD2h}} | {{#set: reversible reaction associated=HACD2h}} | ||
Latest revision as of 12:42, 10 January 2019
Contents
Metabolite K-HEXANOYL-COA
- smiles:
- CCCC(CC(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-])=O)=O
- molecular weight:
- 875.63
- inchi key:
- InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
- common name:
- 3-oxohexanoyl-CoA
- Synonym(s):
- ketohexanoyl-CoA
- β-hexanoyl-CoA
- ketohexanoyl-coenzyme-A
- 3-ketohexanoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- REFMET : 3-oxohexanoyl-CoA
- CHEBI:
- CAS : 19774-86-8
- LIGAND-CPD:
- HMDB : HMDB03943
- METABOLIGHTS : MTBLC27648
- BIGG : 3ohcoa
"CCCC(CC(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-])=O)=O" cannot be used as a page name in this wiki.
