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CHEBI:139821 - bhos#38-CoA

Default Structure
ChEBI IDCHEBI:139821
ChEBI Namebhos#38-CoA
Stars
DefinitionCoA ester of bhos#38
SubmitterMichael Witting
DownloadsMolfile
FormulaC48H86N7O22P3S
Net Charge0
Average Mass1238.232
Monoisotopic Mass1237.47595
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC[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/C48H86N7O22P3S/c1-32-34(57)27-35(58)47(74-32)71-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-33(56)26-38(60)81-25-23-50-37(59)21-22-51-45(63)42(62)48(2,3)29-73-80(69,70)77-79(67,68)72-28-36-41(76-78(64,65)66)40(61)46(75-36)55-31-54-39-43(49)52-30-53-44(39)55/h30-36,40-42,46-47,56-58,61-62H,4-29H2,1-3H3,(H,50,59)(H,51,63)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t32-,33+,34+,35+,36+,40+,41+,42-,46+,47+/m0/s1
InChIKeyKCXFBMBOIZUQTN-AIZSDTMFSA-N
ChEBI Ontology
Outgoing Relation(s)
bhos#38-CoA (CHEBI:139821) is a organic molecular entity (CHEBI:50860)