EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:65059 - docosanoyl-CoA(4−)

ChEBI IDCHEBI:65059
ChEBI Namedocosanoyl-CoA(4−)
Stars
ASCII Namedocosanoyl-CoA(4-)
DefinitionA saturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of docosanoyl-CoA (behenoyl-CoA); major species at pH 7.3.
Last Modified6 February 2019
SubmitterAlan Bridge
DownloadsMolfile
FormulaC43H74N7O17P3S
Net Charge-4
Average Mass1086.086
Monoisotopic Mass1085.40967
SMILESCCCCCCCCCCCCCCCCCCCCCC(=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/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/t32-,36-,37-,38+,42-/m1/s1
InChIKeyNDDZLVOCGALPLR-GNSUAQHMSA-J
ChEBI Ontology
Outgoing Relation(s)
docosanoyl-CoA(4−) (CHEBI:65059) has functional parent docosanoic acid (CHEBI:28941)
docosanoyl-CoA(4−) (CHEBI:65059) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
docosanoyl-CoA(4−) (CHEBI:65059) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
docosanoyl-CoA(4−) (CHEBI:65059) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
docosanoyl-CoA(4−) (CHEBI:65059) is conjugate base of docosanoyl-CoA (CHEBI:65088)
Incoming Relation(s)
docosanoyl-CoA (CHEBI:65088) is conjugate acid of docosanoyl-CoA(4−) (CHEBI:65059)
Synonyms  Source
behenoyl-CoA(4−)ChEBI
behenoyl-coenzyme A(4−)ChEBI
docosanoyl-CoASUBMITTER
docosanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
docosanoyl-CoAUniProt