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CHEBI:80632 - (13Z,16Z)-Docosadi-13,16-enoyl-CoA

ChEBI IDCHEBI:80632
ChEBI Name(13Z,16Z)-Docosadi-13,16-enoyl-CoA
Stars
DownloadsMolfile
FormulaC43H74N7O17P3S
Net Charge0
Average Mass1086.086
Monoisotopic Mass1085.40747
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=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/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,30-32,36-38,42,53-54H,4-7,10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b9-8-,12-11-/t32-,36-,37-,38?,42-/m1/s1
InChIKeyZLXWEKYVHIYDIY-HNHLYTFDSA-N
ChEBI Ontology
Outgoing Relation(s)
(13Z,16Z)-Docosadi-13,16-enoyl-CoA (CHEBI:80632) is a organic molecule (CHEBI:72695)
Manual XrefsDatabases
C16645KEGG COMPOUND