EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139962 - bkos#9-CoA

ChEBI IDCHEBI:139962
ChEBI Namebkos#9-CoA
Stars
DefinitionAn acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of bkos#9.
Last Modified16 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC32H52N7O22P3S
Net Charge0
Average Mass1011.784
Monoisotopic Mass1011.20990
SMILESC[C@@H]1O[C@@H](OCCC(=O)CC(=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/C32H52N7O22P3S/c1-16-18(41)11-19(42)31(58-16)55-8-5-17(40)10-22(44)65-9-7-34-21(43)4-6-35-29(47)26(46)32(2,3)13-57-64(53,54)61-63(51,52)56-12-20-25(60-62(48,49)50)24(45)30(59-20)39-15-38-23-27(33)36-14-37-28(23)39/h14-16,18-20,24-26,30-31,41-42,45-46H,4-13H2,1-3H3,(H,34,43)(H,35,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t16-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
InChIKeyQUSYCGNKRPSLGM-SSTSQUPRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
bkos#9-CoA (CHEBI:139962) has functional parent bkos#9 (CHEBI:139960)
bkos#9-CoA (CHEBI:139962) is a acyl-CoA (CHEBI:17984)
bkos#9-CoA (CHEBI:139962) is conjugate acid of bkos#9-CoA(4−) (CHEBI:139963)
Incoming Relation(s)
bkos#9-CoA(4−) (CHEBI:139963) is conjugate base of bkos#9-CoA (CHEBI:139962)
Synonyms  Source
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoyl-coenzyme AChEBI
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoyl-CoAChEBI
bkos#9-coenzyme AChEBI