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CHEBI:71461 - isoheptadecanoyl-CoA(4−)

ChEBI IDCHEBI:71461
ChEBI Nameisoheptadecanoyl-CoA(4−)
Stars
ASCII Nameisoheptadecanoyl-CoA(4-)
DefinitionA saturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of isoheptadecanoyl-CoA. Major species at pH 7.3.
Last Modified8 November 2021
SubmitterAlan Bridge
DownloadsMolfile
FormulaC38H64N7O17P3S
Net Charge-4
Average Mass1015.951
Monoisotopic Mass1015.33142
SMILESCC(C)CCCCCCCCCCCCCC(=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/C38H68N7O17P3S/c1-26(2)16-14-12-10-8-6-5-7-9-11-13-15-17-29(47)66-21-20-40-28(46)18-19-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-27,31-33,37,48-49H,5-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t27-,31-,32-,33+,37-/m1/s1
InChIKeyAZUNRVWJJVHLJB-DUPKZGIXSA-J
ChEBI Ontology
Outgoing Relation(s)
isoheptadecanoyl-CoA(4−) (CHEBI:71461) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
isoheptadecanoyl-CoA(4−) (CHEBI:71461) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
isoheptadecanoyl-CoA(4−) (CHEBI:71461) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
isoheptadecanoyl-CoA(4−) (CHEBI:71461) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
isoheptadecanoyl-CoA(4−) (CHEBI:71461) is conjugate base of isoheptadecanoyl-CoA (CHEBI:71540)
Incoming Relation(s)
isoheptadecanoyl-CoA (CHEBI:71540) is conjugate acid of isoheptadecanoyl-CoA(4−) (CHEBI:71461)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
isoheptadecanoyl-coenzyme A(4−)ChEBI
15-methylhexadecanoyl-coenzyme A(4−)ChEBI
15-methylhexadecanoyl-CoA(4−)ChEBI
UniProt Name  Source
isoheptadecanoyl-coAUniProt