Difference between revisions of "CPD-13533"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13533 CPD-13533] == * smiles: ** CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O | ** CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 863.619 | ** 863.619 | ||
| + | * inchi key: | ||
| + | ** InChIKey=YYGYPCRWZMLSGK-ORUMCERNSA-J | ||
| + | * common name: | ||
| + | ** (3R)-3-hydroxypentanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** D-β-hydroxyvaleryl-CoA | ** D-β-hydroxyvaleryl-CoA | ||
| + | ** (3R)-3-hydroxyvaleryl-CoA | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN-12560]] | ||
== 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=54758578 54758578] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54758578 54758578] | ||
{{#set: smiles=CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O}} | {{#set: smiles=CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=863.619 }} | {{#set: molecular weight=863.619 }} | ||
| − | {{#set: common name=D-β-hydroxyvaleryl-CoA}} | + | {{#set: inchi key=InChIKey=YYGYPCRWZMLSGK-ORUMCERNSA-J}} |
| − | {{#set: | + | {{#set: common name=(3R)-3-hydroxypentanoyl-CoA}} |
| + | {{#set: common name=D-β-hydroxyvaleryl-CoA|(3R)-3-hydroxyvaleryl-CoA}} | ||
| + | {{#set: consumed by=RXN-12560}} | ||
Latest revision as of 14:22, 10 January 2019
Contents
Metabolite CPD-13533
- smiles:
- CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O
- molecular weight:
- 863.619
- inchi key:
- InChIKey=YYGYPCRWZMLSGK-ORUMCERNSA-J
- common name:
- (3R)-3-hydroxypentanoyl-CoA
- Synonym(s):
- D-β-hydroxyvaleryl-CoA
- (3R)-3-hydroxyvaleryl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O" cannot be used as a page name in this wiki.
