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CHEBI:74106 - erucoyl-CoA

ChEBI IDCHEBI:74106
ChEBI Nameerucoyl-CoA
Stars
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of erucic acid.
Secondary ChEBI IDCHEBI:80548
Last Modified7 May 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC43H76N7O17P3S
Net Charge0
Average Mass1088.102
Monoisotopic Mass1087.42312
SMILESCCCCCCCC/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/C43H76N7O17P3S/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/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b12-11-/t32-,36-,37-,38+,42-/m1/s1
InChIKeyOWGHRDKRIGXBJM-SPZFTOIUSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
erucoyl-CoA (CHEBI:74106) has functional parent erucic acid (CHEBI:28792)
erucoyl-CoA (CHEBI:74106) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
erucoyl-CoA (CHEBI:74106) is a long-chain fatty acyl-CoA (CHEBI:33184)
erucoyl-CoA (CHEBI:74106) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
erucoyl-CoA (CHEBI:74106) is conjugate acid of erucoyl-CoA(4−) (CHEBI:74068)
Incoming Relation(s)
erucoyl-CoA(4−) (CHEBI:74068) is conjugate base of erucoyl-CoA (CHEBI:74106)
Synonyms  Source
13Z-docosenoyl-CoAChEBI
13cis-docosenoyl-CoAChEBI
13Z-docosenoyl-coenzyme AChEBI
C22:1(n-9) -CoAChEBI
C22:1(n-9)-CoAChEBI
(13Z)-docosenoyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C16531KEGG COMPOUND
Registry NumbersSources
Reaxys:11195616Reaxys
Citations