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CHEBI:139775 - bhos#10-CoA

Default Structure
ChEBI IDCHEBI:139775
ChEBI Namebhos#10-CoA
Stars
DefinitionCoA ester of bhos#10
SubmitterMichael Witting
DownloadsMolfile
FormulaC36H62N7O22P3S
Net Charge0
Average Mass1069.908
Monoisotopic Mass1069.28815
SMILESC[C@@H]1O[C@@H](OCCCCCC[C@@H](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/C36H62N7O22P3S/c1-20-22(45)15-23(46)35(62-20)59-12-7-5-4-6-8-21(44)14-26(48)69-13-11-38-25(47)9-10-39-33(51)30(50)36(2,3)17-61-68(57,58)65-67(55,56)60-16-24-29(64-66(52,53)54)28(49)34(63-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-24,28-30,34-35,44-46,49-50H,4-17H2,1-3H3,(H,38,47)(H,39,51)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t20-,21+,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1
InChIKeyWVYOUKSDJUHZFC-KVKWJEPMSA-N
ChEBI Ontology
Outgoing Relation(s)
bhos#10-CoA (CHEBI:139775) is a organic molecular entity (CHEBI:50860)