CHEBI:70827 - isopentadecanoyl-CoA(4−)

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ChEBI Name isopentadecanoyl-CoA(4−)
ChEBI ID CHEBI:70827
ChEBI ASCII Name isopentadecanoyl-CoA(4-)
Definition A saturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of isopentadecanoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
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Formula C36H60N7O17P3S
Net Charge -4
Average Mass 987.88500
Monoisotopic Mass 987.30012
InChI InChI=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
InChIKey TZHWAJXXUMOTBV-VTINEICCSA-J
SMILES CC(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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 isopentadecanoyl-CoA (CHEBI:70848) is conjugate acid of isopentadecanoyl-CoA(4−) (CHEBI:70827)
Synonyms Sources
13-methylmyristoyl-CoA(4−) SUBMITTER
13-methyltetradecanoyl-CoA(4−) ChEBI
isopentadecanoyl-CoA UniProt
Last Modified
08 November 2021