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CHEBI:75105 - nonadecanoyl-CoA(4−)

ChEBI IDCHEBI:75105
ChEBI Namenonadecanoyl-CoA(4−)
Stars
ASCII Namenonadecanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of nonadecanoyl-CoA.
Last Modified28 October 2014
Submitterlaimo
DownloadsMolfile
FormulaC40H68N7O17P3S
Net Charge-4
Average Mass1044.005
Monoisotopic Mass1043.36272
SMILESCCCCCCCCCCCCCCCCCCC(=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/C40H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(49)68-24-23-42-30(48)21-22-43-38(52)35(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-29-34(63-65(53,54)55)33(50)39(62-29)47-28-46-32-36(41)44-27-45-37(32)47/h27-29,33-35,39,50-51H,4-26H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t29-,33-,34-,35+,39-/m1/s1
InChIKeyYUJZGRUJMWKAJF-ZOUGCNRJSA-J
ChEBI Ontology
Outgoing Relation(s)
nonadecanoyl-CoA(4−) (CHEBI:75105) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
nonadecanoyl-CoA(4−) (CHEBI:75105) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
nonadecanoyl-CoA(4−) (CHEBI:75105) is conjugate base of nonadecanoyl-CoA (CHEBI:75332)
Incoming Relation(s)
nonadecanoyl-CoA (CHEBI:75332) is conjugate acid of nonadecanoyl-CoA(4−) (CHEBI:75105)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(nonadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
Synonym  Source
nonadecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
nonadecanoyl-CoAUniProt