Wikidata

(Q27093895)

English

S-[2-[3-[[(2S)-4-[[[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octanethioate

chemical compound

In more languages

Statements

mass
893.219674±0 dalton
1 reference
stated in
PubChem
PubChem CID
46936526
language of work or name
English
title
octanoyl-coenzyme A (English)
retrieved
4 October 2016
chemical formula
C₂₉H₅₀N₇O₁₇P₃S
1 reference
stated in
PubChem
PubChem CID
46936526
language of work or name
English
title
octanoyl-coenzyme A (English)
retrieved
4 October 2016
canonical SMILES
CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
1 reference
stated in
PubChem
PubChem CID
46936526
language of work or name
English
title
octanoyl-coenzyme A (English)
retrieved
4 October 2016
isomeric SMILES
CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
1 reference
stated in
PubChem
PubChem CID
46936526
language of work or name
English
title
octanoyl-coenzyme A (English)
retrieved
4 October 2016

Identifiers

ChemSpider ID
26329859
1 reference
stated in
ChemSpider
ChemSpider ID
26329859
language of work or name
English
title
S-{(3R,5R,9S)-1-[(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lamb (English)
retrieved
4 October 2016
 
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