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CHEBI:139963 - bkos#9-CoA(4−)

ChEBI IDCHEBI:139963
ChEBI Namebkos#9-CoA(4−)
Stars
ASCII Namebkos#9-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of bkos#9-CoA; major species at pH 7.3.
Last Modified16 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC32H48N7O22P3S
Net Charge-4
Average Mass1007.752
Monoisotopic Mass1007.18079
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)/p-4/t16-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1
InChIKeyQUSYCGNKRPSLGM-SSTSQUPRSA-J
ChEBI Ontology
Outgoing Relation(s)
bkos#9-CoA(4−) (CHEBI:139963) is a acyl-CoA(4−) (CHEBI:58342)
bkos#9-CoA(4−) (CHEBI:139963) is conjugate base of bkos#9-CoA (CHEBI:139962)
Incoming Relation(s)
bkos#9-CoA (CHEBI:139962) is conjugate acid of bkos#9-CoA(4−) (CHEBI:139963)
Synonyms  Source
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoyl-coenzyme A(4−)ChEBI
bkos#9-coenzyme A(4−)ChEBI
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoyl-CoA(4−)ChEBI