CHEBI:78811 - heptanoyl-CoA(4−)

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ChEBI Name heptanoyl-CoA(4−)
ChEBI ID CHEBI:78811
ChEBI ASCII Name heptanoyl-CoA(4-)
Definition A saturated acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of heptanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C28H44N7O17P3S
Net Charge -4
Average Mass 875.67400
Monoisotopic Mass 875.17492
InChI InChI=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
InChIKey CHVYGJMBUXUTSX-SVHODSNWSA-J
SMILES CCCCCCC(=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 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 heptanoyl-CoA (CHEBI:37283) is conjugate acid of heptanoyl-CoA(4−) (CHEBI:78811)
Synonyms Sources
enanthyl-CoA(4−) SUBMITTER
heptanoyl-CoA UniProt
heptanoyl-coenzyme A(4−) SUBMITTER
Last Modified
09 December 2015