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CHEBI:42984 - 3R-HYDROXYDECANOYL-COENZYME A

Default Structure
ChEBI IDCHEBI:42984
ChEBI Name3R-HYDROXYDECANOYL-COENZYME A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H54N7O18P3S
Net Charge0
Average Mass937.793
Monoisotopic Mass937.24589
SMILES[H]O[C@@]([H])(C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])O[P@](=O)(O[H])O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(n2c([H])nc3c(N([H])[H])nc([H])nc32)[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1
InChIKeyHIVSMYZAMUNFKZ-PDQACDDGSA-N
ChEBI Ontology
Outgoing Relation(s)
3R-HYDROXYDECANOYL-COENZYME A (CHEBI:42984) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3R-HYDROXYDECANOYL-COENZYME APDBeChem
S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3R)-3-hydroxydecanethioate (non-preferred name)PDBeChem
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