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CHEBI:78811 - heptanoyl-CoA(4−)

ChEBI IDCHEBI:78811
ChEBI Nameheptanoyl-CoA(4−)
Stars
ASCII Nameheptanoyl-CoA(4-)
DefinitionA saturated acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of heptanoyl-CoA; major species at pH 7.3.
Last Modified9 December 2015
Submitterlaimo
DownloadsMolfile
FormulaC28H44N7O17P3S
Net Charge-4
Average Mass875.681
Monoisotopic Mass875.17492
SMILESCCCCCCC(=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/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,21-,22-,23+,27-/m1/s1
InChIKeyCHVYGJMBUXUTSX-SVHODSNWSA-J
ChEBI Ontology
Outgoing Relation(s)
heptanoyl-CoA(4−) (CHEBI:78811) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
heptanoyl-CoA(4−) (CHEBI:78811) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
heptanoyl-CoA(4−) (CHEBI:78811) is conjugate base of heptanoyl-CoA (CHEBI:37283)
Incoming Relation(s)
heptanoyl-CoA (CHEBI:37283) is conjugate acid of heptanoyl-CoA(4−) (CHEBI:78811)
Synonyms  Source
heptanoyl-coenzyme A(4−)SUBMITTER
enanthyl-CoA(4−)SUBMITTER
UniProt Name  Source
heptanoyl-CoAUniProt