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CHEBI:70827 - isopentadecanoyl-CoA(4−)

ChEBI IDCHEBI:70827
ChEBI Nameisopentadecanoyl-CoA(4−)
Stars
ASCII Nameisopentadecanoyl-CoA(4-)
DefinitionA saturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of isopentadecanoyl-CoA.
Last Modified8 November 2021
SubmitterAlan Bridge
DownloadsMolfile
FormulaC36H60N7O17P3S
Net Charge-4
Average Mass987.897
Monoisotopic Mass987.30012
SMILESCC(C)CCCCCCCCCCCC(=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/C36H64N7O17P3S/c1-24(2)14-12-10-8-6-5-7-9-11-13-15-27(45)64-19-18-38-26(44)16-17-39-34(48)31(47)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-30(59-61(49,50)51)29(46)35(58-25)43-23-42-28-32(37)40-22-41-33(28)43/h22-25,29-31,35,46-47H,5-21H2,1-4H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t25-,29-,30-,31+,35-/m1/s1
InChIKeyTZHWAJXXUMOTBV-VTINEICCSA-J
ChEBI Ontology
Outgoing Relation(s)
isopentadecanoyl-CoA(4−) (CHEBI:70827) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
isopentadecanoyl-CoA(4−) (CHEBI:70827) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
isopentadecanoyl-CoA(4−) (CHEBI:70827) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
isopentadecanoyl-CoA(4−) (CHEBI:70827) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
isopentadecanoyl-CoA(4−) (CHEBI:70827) is conjugate base of isopentadecanoyl-CoA (CHEBI:70848)
Incoming Relation(s)
isopentadecanoyl-CoA (CHEBI:70848) is conjugate acid of isopentadecanoyl-CoA(4−) (CHEBI:70827)
Synonyms  Source
13-methylmyristoyl-CoA(4−)SUBMITTER
13-methyltetradecanoyl-CoA(4−)ChEBI
UniProt Name  Source
isopentadecanoyl-CoAUniProt