CHEBI:76291 - nonanoyl-CoA(4−)

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ChEBI Name nonanoyl-CoA(4−)
ChEBI ID CHEBI:76291
ChEBI ASCII Name nonanoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of nonanoyl-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 C30H48N7O17P3S
Net Charge -4
Average Mass 903.72500
Monoisotopic Mass 903.20622
InChI InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t19-,23-,24-,25+,29-/m1/s1
InChIKey WLDUTYVSAGSKIV-FUEUKBNZSA-J
SMILES CCCCCCCCC(=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 nonanoyl-CoA(4−) (CHEBI:76291) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
nonanoyl-CoA(4−) (CHEBI:76291) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
nonanoyl-CoA(4−) (CHEBI:76291) is conjugate base of nonanoyl-CoA (CHEBI:27770)
Incoming nonanoyl-CoA (CHEBI:27770) is conjugate acid of nonanoyl-CoA(4−) (CHEBI:76291)
IUPAC Name
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
Synonyms Sources
nonanoyl-CoA UniProt
nonanoyl-coenzyme A(4−) SUBMITTER
Last Modified
09 December 2015