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CHEBI:80359 - (9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA

ChEBI IDCHEBI:80359
ChEBI Name(9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA
Stars
DownloadsMolfile
FormulaC45H72N7O17P3S
Net Charge0
Average Mass1108.092
Monoisotopic Mass1107.39182
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40?,44-/m1/s1
InChIKeyBNAMTMVBOVNNSH-CJKIZYBOSA-N
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z,15Z,18Z,21Z)-Tetracosaheptaenoyl-CoA (CHEBI:80359) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16167KEGG COMPOUND