EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140018 - oscr#27-CoA(4−)

ChEBI IDCHEBI:140018
ChEBI Nameoscr#27-CoA(4−)
Stars
ASCII Nameoscr#27-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#27-CoA; major species at pH 7.3.
Last Modified23 February 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC43H70N7O21P3S
Net Charge-4
Average Mass1146.050
Monoisotopic Mass1145.35803
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C43H74N7O21P3S/c1-28-29(51)23-30(52)42(68-28)65-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-33(54)75-22-20-45-32(53)18-19-46-40(57)37(56)43(2,3)25-67-74(63,64)71-73(61,62)66-24-31-36(70-72(58,59)60)35(55)41(69-31)50-27-49-34-38(44)47-26-48-39(34)50/h15,17,26-31,35-37,41-42,51-52,55-56H,4-14,16,18-25H2,1-3H3,(H,45,53)(H,46,57)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/p-4/b17-15+/t28-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1
InChIKeyDBOIUUAZTAJZKQ-FHNNOFDASA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#27-CoA(4−) (CHEBI:140018) is a acyl-CoA(4−) (CHEBI:58342)
oscr#27-CoA(4−) (CHEBI:140018) is conjugate base of oscr#27-CoA (CHEBI:140017)
Incoming Relation(s)
oscr#27-CoA (CHEBI:140017) is conjugate acid of oscr#27-CoA(4−) (CHEBI:140018)
Synonyms  Source
(2E)-16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadec-2-enoyl-coenzyme A(4−)ChEBI
(2E)-16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadec-2-enoyl-CoA(4−)ChEBI
oscr#27-coenzyme A(4−)ChEBI