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CHEBI:71427 - isotridecanoyl-CoA(4−)

ChEBI IDCHEBI:71427
ChEBI Nameisotridecanoyl-CoA(4−)
Stars
ASCII Nameisotridecanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of isotridecanoyl-CoA.
Last Modified8 November 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC34H56N7O17P3S
Net Charge-4
Average Mass959.843
Monoisotopic Mass959.26882
SMILESCC(C)CCCCCCCCCC(=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/C34H60N7O17P3S/c1-22(2)12-10-8-6-5-7-9-11-13-25(43)62-17-16-36-24(42)14-15-37-32(46)29(45)34(3,4)19-55-61(52,53)58-60(50,51)54-18-23-28(57-59(47,48)49)27(44)33(56-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-23,27-29,33,44-45H,5-19H2,1-4H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/t23-,27-,28-,29+,33-/m1/s1
InChIKeySAZRNJMTRRCRJX-QYIUPXBKSA-J
ChEBI Ontology
Outgoing Relation(s)
isotridecanoyl-CoA(4−) (CHEBI:71427) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
isotridecanoyl-CoA(4−) (CHEBI:71427) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
isotridecanoyl-CoA(4−) (CHEBI:71427) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
isotridecanoyl-CoA(4−) (CHEBI:71427) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
isotridecanoyl-CoA(4−) (CHEBI:71427) is conjugate base of isotridecanoyl-CoA (CHEBI:71437)
Incoming Relation(s)
isotridecanoyl-CoA (CHEBI:71437) is conjugate acid of isotridecanoyl-CoA(4−) (CHEBI:71427)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(11-methyldodecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
11-methyldodecanoyl-coenzyme A(4−)ChEBI
11-methyldodecanoyl-CoA(4−)ChEBI
isotridecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
11-methyldodecanoyl-CoAUniProt