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CHEBI:234412 - (13Z,16Z)-docosadienoyl-CoA(4−)

Default Structure
ChEBI IDCHEBI:234412
ChEBI Name(13Z,16Z)-docosadienoyl-CoA(4−)
Stars
ASCII Name(13Z,16Z)-docosadienoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC43H70N7O17P3S
Net Charge-4
Average Mass1082.054
Monoisotopic Mass1081.37837
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](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)/p-4/b9-8-,12-11-/t32-,36-,37-,38+,42-/m1/s1
InChIKeyZLXWEKYVHIYDIY-HCUKIJCOSA-J
ChEBI Ontology
Outgoing Relation(s)
(13Z,16Z)-docosadienoyl-CoA(4−) (CHEBI:234412) has functional parent (13Z,16Z)-docosadienoate (CHEBI:77806)
(13Z,16Z)-docosadienoyl-CoA(4−) (CHEBI:234412) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(13Z,16Z)-docosadienoyl-CoA(4−) (CHEBI:234412) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
Synonym  Source
CoA 22:2(13Z,16Z)(4−)SUBMITTER
UniProt Name  Source
(13Z,16Z)-docosadienoyl-CoAUniProt