EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140060 - oscr#9-CoA(4−)

ChEBI IDCHEBI:140060
ChEBI Nameoscr#9-CoA(4−)
Stars
ASCII Nameoscr#9-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of oscr#9-CoA; major species at pH 7.3.
Last Modified1 December 2020
SubmitterMichael Witting
DownloadsMolfile
FormulaC32H50N7O21P3S
Net Charge-4
Average Mass993.769
Monoisotopic Mass993.20153
SMILESC[C@@H]1O[C@@H](OCCCCC(=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/C32H54N7O21P3S/c1-17-18(40)12-19(41)31(57-17)54-10-5-4-6-22(43)64-11-9-34-21(42)7-8-35-29(46)26(45)32(2,3)14-56-63(52,53)60-62(50,51)55-13-20-25(59-61(47,48)49)24(44)30(58-20)39-16-38-23-27(33)36-15-37-28(23)39/h15-20,24-26,30-31,40-41,44-45H,4-14H2,1-3H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-4/t17-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
InChIKeyOJJVYBQJWBBERR-XKGQWQQESA-J
ChEBI Ontology
Outgoing Relation(s)
oscr#9-CoA(4−) (CHEBI:140060) is a acyl-CoA(4−) (CHEBI:58342)
oscr#9-CoA(4−) (CHEBI:140060) is conjugate base of oscr#9-CoA (CHEBI:140059)
Incoming Relation(s)
oscr#9-CoA (CHEBI:140059) is conjugate acid of oscr#9-CoA(4−) (CHEBI:140060)
Synonyms  Source
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentanoyl-coenzyme A(4−)ChEBI
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentanoyl-CoA(4−)ChEBI
oscr#9-coenzyme AChEBI
UniProt Name  Source
asc-ωC5-CoAUniProt