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CHEBI:57394 - stearoyl-CoA(4−)

ChEBI IDCHEBI:57394
ChEBI Namestearoyl-CoA(4−)
Stars
ASCII Namestearoyl-CoA(4-)
DefinitionAn acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of stearoyl-CoA.
Last Modified9 June 2021
DownloadsMolfile
FormulaC39H66N7O17P3S
Net Charge-4
Average Mass1029.978
Monoisotopic Mass1029.34707
SMILESCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/t28-,32-,33-,34+,38-/m1/s1
InChIKeySIARJEKBADXQJG-LFZQUHGESA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
stearoyl-CoA(4−) (CHEBI:57394) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
stearoyl-CoA(4−) (CHEBI:57394) has role human metabolite (CHEBI:77746)
stearoyl-CoA(4−) (CHEBI:57394) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
stearoyl-CoA(4−) (CHEBI:57394) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
stearoyl-CoA(4−) (CHEBI:57394) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
stearoyl-CoA(4−) (CHEBI:57394) is conjugate base of stearoyl-CoA (CHEBI:15541)
Incoming Relation(s)
stearoyl-CoA (CHEBI:15541) is conjugate acid of stearoyl-CoA(4−) (CHEBI:57394)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
Synonyms  Source
stearoyl-CoA tetraanionChEBI
stearoyl-coenzyme A(4−)ChEBI
stearoyl-coenzyme A tetraanionChEBI
UniProt Name  Source
octadecanoyl-CoAUniProt
Manual XrefsDatabases
STEAROYL-COAMetaCyc