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CHEBI:139916 - bkos#18-CoA

Default Structure
ChEBI IDCHEBI:139916
ChEBI Namebkos#18-CoA
Stars
DefinitionCoA ester of bkos#18
SubmitterMichael Witting
DownloadsMolfile
FormulaC38H64N7O22P3S
Net Charge0
Average Mass1095.946
Monoisotopic Mass1095.30380
SMILESC[C@@H]1O[C@@H](OCCCCCCCCC(=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/C38H64N7O22P3S/c1-22-24(47)17-25(48)37(64-22)61-14-9-7-5-4-6-8-10-23(46)16-28(50)71-15-13-40-27(49)11-12-41-35(53)32(52)38(2,3)19-63-70(59,60)67-69(57,58)62-18-26-31(66-68(54,55)56)30(51)36(65-26)45-21-44-29-33(39)42-20-43-34(29)45/h20-22,24-26,30-32,36-37,47-48,51-52H,4-19H2,1-3H3,(H,40,49)(H,41,53)(H,57,58)(H,59,60)(H2,39,42,43)(H2,54,55,56)/t22-,24+,25+,26+,30+,31+,32-,36+,37+/m0/s1
InChIKeyTVTNLEOCUBDOPO-GOCJXLSSSA-N
ChEBI Ontology
Outgoing Relation(s)
bkos#18-CoA (CHEBI:139916) is a organic molecular entity (CHEBI:50860)