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CHEBI:139939 - bkos#28-CoA(4-)

Default Structure
ChEBI IDCHEBI:139939
ChEBI Namebkos#28-CoA(4-)
Stars
DefinitionConjugate base of bkos#28-CoA
SubmitterMichael Witting
DownloadsMolfile
FormulaC43H70N7O22P3S
Net Charge-4
Average Mass1162.049
Monoisotopic Mass1161.35294
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=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/C43H74N7O22P3S/c1-27-29(52)22-30(53)42(69-27)66-19-14-12-10-8-6-4-5-7-9-11-13-15-28(51)21-33(55)76-20-18-45-32(54)16-17-46-40(58)37(57)43(2,3)24-68-75(64,65)72-74(62,63)67-23-31-36(71-73(59,60)61)35(56)41(70-31)50-26-49-34-38(44)47-25-48-39(34)50/h25-27,29-31,35-37,41-42,52-53,56-57H,4-24H2,1-3H3,(H,45,54)(H,46,58)(H,62,63)(H,64,65)(H2,44,47,48)(H2,59,60,61)/p-4/t27-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1
InChIKeyKXYKIKCZOWBPPM-WVYCKIPGSA-J
ChEBI Ontology
Outgoing Relation(s)
bkos#28-CoA(4-) (CHEBI:139939) is a organic molecular entity (CHEBI:50860)