CHEBI:139963 - bkos#9-CoA(4−)

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ChEBI Name bkos#9-CoA(4−)
ChEBI ID CHEBI:139963
ChEBI ASCII Name bkos#9-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate groups of bkos#9-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Supplier Information
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Formula C32H48N7O22P3S
Net Charge -4
Average Mass 1007.746
Monoisotopic Mass 1007.18079
InChI InChI=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
InChIKey QUSYCGNKRPSLGM-SSTSQUPRSA-J
SMILES C[C@@H]1O[C@@H](OCCC(=O)CC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)[C@H](O)C[C@H]1O
ChEBI Ontology
Outgoing 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 bkos#9-CoA (CHEBI:139962) is conjugate acid of bkos#9-CoA(4−) (CHEBI:139963)
Synonyms Sources
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoyl-CoA(4−) ChEBI
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoyl-coenzyme A(4−) ChEBI
bkos#9-coenzyme A(4−) ChEBI
Last Modified
16 March 2018