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CHEBI:71425 - isopalmitoyl-CoA(4−)

ChEBI IDCHEBI:71425
ChEBI Nameisopalmitoyl-CoA(4−)
Stars
ASCII Nameisopalmitoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of isopalmitoyl-CoA. Major species at pH 7.3.
Last Modified8 November 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC37H62N7O17P3S
Net Charge-4
Average Mass1001.924
Monoisotopic Mass1001.31577
SMILESCC(C)CCCCCCCCCCCCC(=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/C37H66N7O17P3S/c1-25(2)15-13-11-9-7-5-6-8-10-12-14-16-28(46)65-20-19-39-27(45)17-18-40-35(49)32(48)37(3,4)22-58-64(55,56)61-63(53,54)57-21-26-31(60-62(50,51)52)30(47)36(59-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,47-48H,5-22H2,1-4H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t26-,30-,31-,32+,36-/m1/s1
InChIKeyOUPDXZZMDVEBFS-BBECNAHFSA-J
ChEBI Ontology
Outgoing Relation(s)
isopalmitoyl-CoA(4−) (CHEBI:71425) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
isopalmitoyl-CoA(4−) (CHEBI:71425) is a methyl-branched fatty acyl-CoA(4−) (CHEBI:183508)
isopalmitoyl-CoA(4−) (CHEBI:71425) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
isopalmitoyl-CoA(4−) (CHEBI:71425) is conjugate base of isopalmitoyl-CoA (CHEBI:71433)
Incoming Relation(s)
isopalmitoyl-CoA (CHEBI:71433) is conjugate acid of isopalmitoyl-CoA(4−) (CHEBI:71425)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(14-methylpentadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
isopalmitoyl-coenzyme A(4−)ChEBI
isohexadecanoyl-CoA(4−)ChEBI
isohexadecanoyl-coenzyme A(4−)ChEBI
14-methylpentadecanoyl-coenzyme A(4−)ChEBI
14-methylpentadecanoyl-CoA(4−)ChEBI
UniProt Name  Source
15-methylhexadecanoyl-CoAUniProt