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CHEBI:77183 - (2E)-hexadecenedioyl-CoA

ChEBI IDCHEBI:77183
ChEBI Name(2E)-hexadecenedioyl-CoA
Stars
ASCII Name(2E)-hexadecenedioyl-CoA
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (2E)-hexadecenedioic acid.
Last Modified3 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC37H62N7O19P3S
Net Charge0
Average Mass1033.922
Monoisotopic Mass1033.30340
SMILESCC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C37H62N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h14,16,23-25,30-32,36,49-50H,3-13,15,17-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b16-14+/t25-,30-,31-,32+,36-/m1/s1
InChIKeySJBSPCRLRGPAHQ-OHCWBFRRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2E)-hexadecenedioyl-CoA (CHEBI:77183) has functional parent hexadecanedioic acid (CHEBI:73722)
(2E)-hexadecenedioyl-CoA (CHEBI:77183) is a acyl-CoA (CHEBI:17984)
(2E)-hexadecenedioyl-CoA (CHEBI:77183) is conjugate acid of (2E)-hexadecenedioyl-CoA(5−) (CHEBI:77075)
Incoming Relation(s)
(2E)-hexadecenedioyl-CoA(5−) (CHEBI:77075) is conjugate base of (2E)-hexadecenedioyl-CoA (CHEBI:77183)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-15-carboxypentadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(2E)-hexadecenedioyl-coenzyme AChEBI
trans-2-hexadecenedioyl-CoAChEBI
trans-2-hexadecenedioyl-coenzyme AChEBI