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CHEBI:57380 - icosanoyl-CoA(4−)

ChEBI IDCHEBI:57380
ChEBI Nameicosanoyl-CoA(4−)
Stars
ASCII Nameicosanoyl-CoA(4-)
DefinitionTetraanion of icosanoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified7 June 2024
DownloadsMolfile
FormulaC41H70N7O17P3S
Net Charge-4
Average Mass1058.032
Monoisotopic Mass1057.37837
SMILESCCCCCCCCCCCCCCCCCCCC(=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/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t30-,34-,35-,36+,40-/m1/s1
InChIKeyJYLSVNBJLYCSSW-IBYUJNRCSA-J
ChEBI Ontology
Outgoing Relation(s)
icosanoyl-CoA(4−) (CHEBI:57380) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
icosanoyl-CoA(4−) (CHEBI:57380) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
icosanoyl-CoA(4−) (CHEBI:57380) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
icosanoyl-CoA(4−) (CHEBI:57380) is conjugate base of icosanoyl-CoA (CHEBI:15527)
Incoming Relation(s)
2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298) has functional parent icosanoyl-CoA(4−) (CHEBI:57380)
icosanoyl-CoA (CHEBI:15527) is conjugate acid of icosanoyl-CoA(4−) (CHEBI:57380)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(icosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} diphosphate)
Synonym  Source
eicosanoyl-CoA(4−)ChEBI
UniProt Name  Source
eicosanoyl-CoAUniProt