Difference between revisions of "CPD0-2232"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2232 CPD0-2232] == * smiles: ** CCCCCCCCCCCCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C...") |
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* smiles: | * smiles: | ||
** CCCCCCCCCCCCCC(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 | ** CCCCCCCCCCCCCC(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: | ||
** 1017.914 | ** 1017.914 | ||
| + | * inchi key: | ||
| + | ** InChIKey=DEHLMTDDPWDRDR-QQOJFMBSSA-J | ||
| + | * common name: | ||
| + | ** (S)-3-hydroxyhexadecanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 3S-hydroxyhexadecanoyl-AoA | ** 3S-hydroxyhexadecanoyl-AoA | ||
| Line 14: | Line 14: | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
* [[RXN-14272]] | * [[RXN-14272]] | ||
| Line 20: | Line 19: | ||
* [[ECOAH7h]] | * [[ECOAH7h]] | ||
* [[HACD7h]] | * [[HACD7h]] | ||
| + | * [[RXN-14271]] | ||
== External links == | == External links == | ||
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| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62613 62613] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62613 62613] | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49859614 49859614] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49859614 49859614] | ||
| + | * HMDB : HMDB03932 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05258 C05258] | ||
| + | * BIGG : 3hhdcoa | ||
{{#set: smiles=CCCCCCCCCCCCCC(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=CCCCCCCCCCCCCC(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=1017.914 }} | {{#set: molecular weight=1017.914 }} | ||
| + | {{#set: inchi key=InChIKey=DEHLMTDDPWDRDR-QQOJFMBSSA-J}} | ||
| + | {{#set: common name=(S)-3-hydroxyhexadecanoyl-CoA}} | ||
{{#set: common name=3S-hydroxyhexadecanoyl-AoA|(S)-3-hydroxypalmitoyl-CoA}} | {{#set: common name=3S-hydroxyhexadecanoyl-AoA|(S)-3-hydroxypalmitoyl-CoA}} | ||
| − | |||
{{#set: produced by=RXN-14272}} | {{#set: produced by=RXN-14272}} | ||
| − | {{#set: reversible reaction associated=ECOAH7h|HACD7h}} | + | {{#set: reversible reaction associated=ECOAH7h|HACD7h|RXN-14271}} |
Latest revision as of 12:47, 10 January 2019
Contents
Metabolite CPD0-2232
- smiles:
- CCCCCCCCCCCCCC(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:
- 1017.914
- inchi key:
- InChIKey=DEHLMTDDPWDRDR-QQOJFMBSSA-J
- common name:
- (S)-3-hydroxyhexadecanoyl-CoA
- Synonym(s):
- 3S-hydroxyhexadecanoyl-AoA
- (S)-3-hydroxypalmitoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CCCCCCCCCCCCCC(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.
