CHEBI:71461 - isoheptadecanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isoheptadecanoyl-CoA(4−)
ChEBI ID CHEBI:71461
ChEBI ASCII Name isoheptadecanoyl-CoA(4-)
Definition A saturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of isoheptadecanoyl-CoA. Major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Alan Bridge
Supplier Information
Download Molfile XML SDF
Formula C38H64N7O17P3S
Net Charge -4
Average Mass 1015.93800
Monoisotopic Mass 1015.33142
InChI InChI=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
InChIKey AZUNRVWJJVHLJB-DUPKZGIXSA-J
SMILES CC(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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 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 Sources
15-methylhexadecanoyl-CoA(4−) ChEBI
15-methylhexadecanoyl-coenzyme A(4−) ChEBI
isoheptadecanoyl-coA UniProt
isoheptadecanoyl-coenzyme A(4−) ChEBI
Last Modified
08 November 2021