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CHEBI:90277 - (2E)-tricosenoyl-CoA

ChEBI IDCHEBI:90277
ChEBI Name(2E)-tricosenoyl-CoA
Stars
ASCII Name(2E)-tricosenoyl-CoA
DefinitionA very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E)-tricosenoic acid.
Last Modified5 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC44H78N7O17P3S
Net Charge0
Average Mass1102.129
Monoisotopic Mass1101.43877
SMILESCCCCCCCCCCCCCCCCCCCC/C=C/C(=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/C44H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h23-24,31-33,37-39,43,54-55H,4-22,25-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/b24-23+/t33-,37-,38-,39+,43-/m1/s1
InChIKeyCAWFROVHOZZJJP-DFNRIUMZSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2E)-tricosenoyl-CoA (CHEBI:90277) is a trans-2-enoyl-CoA (CHEBI:50998)
(2E)-tricosenoyl-CoA (CHEBI:90277) is a alk-2-enoyl-CoA (CHEBI:15469)
(2E)-tricosenoyl-CoA (CHEBI:90277) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(2E)-tricosenoyl-CoA (CHEBI:90277) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(2E)-tricosenoyl-CoA (CHEBI:90277) is conjugate acid of (2E)-tricosenoyl-CoA(4−) (CHEBI:90119)
Incoming Relation(s)
(2E)-tricosenoyl-CoA(4−) (CHEBI:90119) is conjugate base of (2E)-tricosenoyl-CoA (CHEBI:90277)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-tricos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
trans-2-tricosenoyl-coenzyme AChEBI
(2E)-tricosenoyl-coenzyme AChEBI
trans-2-tricosenoyl-CoAChEBI