EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140059 - oscr#9-CoA

ChEBI IDCHEBI:140059
ChEBI Nameoscr#9-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#9
Last Modified25 November 2019
SubmitterMichael Witting
DownloadsMolfile
FormulaC32H54N7O21P3S
Net Charge0
Average Mass997.801
Monoisotopic Mass997.23063
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)/t17-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
InChIKeyOJJVYBQJWBBERR-XKGQWQQESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
oscr#9-CoA (CHEBI:140059) has functional parent oscr#9 (CHEBI:79133)
oscr#9-CoA (CHEBI:140059) is a acyl-CoA (CHEBI:17984)
oscr#9-CoA (CHEBI:140059) is conjugate acid of oscr#9-CoA(4−) (CHEBI:140060)
Incoming Relation(s)
oscr#9-CoA(4−) (CHEBI:140060) is conjugate base of oscr#9-CoA (CHEBI:140059)
Synonyms  Source
oscr#9-coenzyme AChEBI
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentanoyl-CoAChEBI
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentanoyl-coenzyme AChEBI
Manual XrefsDatabases
6QAPDBeChem
Citations