CHEBI:57380 - icosanoyl-CoA(4−)

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ChEBI Name icosanoyl-CoA(4−)
ChEBI ID CHEBI:57380
ChEBI ASCII Name icosanoyl-CoA(4-)
Definition Tetraanion of icosanoyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H70N7O17P3S
Net Charge -4
Average Mass 1058.01700
Monoisotopic Mass 1057.37837
InChI InChI=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
InChIKey JYLSVNBJLYCSSW-IBYUJNRCSA-J
SMILES CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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)
Incoming 2-hydroxyicosanoyl-CoA(4−) (CHEBI:138298) has functional parent 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)
Synonyms Sources
eicosanoyl-CoA UniProt
eicosanoyl-CoA(4−) ChEBI
Last Modified
13 March 2017