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CHEBI:139918 - bkos#1-CoA

Default Structure
ChEBI IDCHEBI:139918
ChEBI Namebkos#1-CoA
Stars
DefinitionCoA ester of bkos#1
SubmitterMichael Witting
DownloadsMolfile
FormulaC34H56N7O22P3S
Net Charge0
Average Mass1039.838
Monoisotopic Mass1039.24120
SMILESC[C@@H]1O[C@@H](OCCCCC(=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/C34H56N7O22P3S/c1-18-20(43)13-21(44)33(60-18)57-10-5-4-6-19(42)12-24(46)67-11-9-36-23(45)7-8-37-31(49)28(48)34(2,3)15-59-66(55,56)63-65(53,54)58-14-22-27(62-64(50,51)52)26(47)32(61-22)41-17-40-25-29(35)38-16-39-30(25)41/h16-18,20-22,26-28,32-33,43-44,47-48H,4-15H2,1-3H3,(H,36,45)(H,37,49)(H,53,54)(H,55,56)(H2,35,38,39)(H2,50,51,52)/t18-,20+,21+,22+,26+,27+,28-,32+,33+/m0/s1
InChIKeyQBVUPCXIUKCLFI-SMBRNFTKSA-N
ChEBI Ontology
Outgoing Relation(s)
bkos#1-CoA (CHEBI:139918) is a organic molecular entity (CHEBI:50860)