Difference between revisions of "CPD-13754"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == * smiles: ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[...") |
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| (One intermediate revision by the same user not shown) | |||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] == |
* smiles: | * smiles: | ||
| − | ** | + | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-] |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J |
* common name: | * common name: | ||
| − | ** | + | ** 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 983.77 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** HIP-CoA |
| − | + | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[RXN-12747]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289539 86289539] |
| − | * | + | * CHEBI: |
| − | {{#set: smiles= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78357 78357] |
| − | {{#set: inchi key=InChIKey= | + | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J}} |
| − | {{#set: molecular weight= | + | {{#set: common name=3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}} |
| − | {{#set: common name= | + | {{#set: molecular weight=983.77 }} |
| − | {{#set: consumed by=RXN- | + | {{#set: common name=HIP-CoA}} |
| + | {{#set: consumed by=RXN-12747}} | ||
Latest revision as of 19:58, 21 March 2018
Contents
Metabolite CPD-13754
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
- inchi key:
- InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
- common name:
- 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
- molecular weight:
- 983.77
- Synonym(s):
- HIP-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(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-" cannot be used as a page name in this wiki.
"3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA" cannot be used as a page name in this wiki.
