EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76291 - nonanoyl-CoA(4−)

ChEBI IDCHEBI:76291
ChEBI Namenonanoyl-CoA(4−)
Stars
ASCII Namenonanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of nonanoyl-CoA; major species at pH 7.3.
Last Modified9 December 2015
Submitterlaimo
DownloadsMolfile
FormulaC30H48N7O17P3S
Net Charge-4
Average Mass903.735
Monoisotopic Mass903.20622
SMILESCCCCCCCCC(=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/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
InChIKeyWLDUTYVSAGSKIV-FUEUKBNZSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
Synonym  Source
nonanoyl-coenzyme A(4−)SUBMITTER
UniProt Name  Source
nonanoyl-CoAUniProt