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CHEBI:76393 - (2E,15Z)-tetracosadienoyl-CoA(4−)

ChEBI IDCHEBI:76393
ChEBI Name(2E,15Z)-tetracosadienoyl-CoA(4−)
Stars
ASCII Name(2E,15Z)-tetracosadienoyl-CoA(4-)
DefinitionA 2,3-trans-enoyl CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,15Z)-tetracosadienoyl-CoA; major species at pH 7.3.
Last Modified27 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC45H74N7O17P3S
Net Charge-4
Average Mass1110.108
Monoisotopic Mass1109.40967
SMILESCCCCCCCC/C=C\CCCCCCCCCCC/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/C45H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,24-25,32-34,38-40,44,55-56H,4-10,13-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b12-11-,25-24+/t34-,38-,39-,40+,44-/m1/s1
InChIKeyVXYLAQGCUVCPNJ-KXWYWQGCSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,15Z)-tetracosadienoyl-CoA(4−) (CHEBI:76393) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E,15Z)-tetracosadienoyl-CoA(4−) (CHEBI:76393) is a very long-chain fatty acyl-CoA(4−) (CHEBI:138261)
(2E,15Z)-tetracosadienoyl-CoA(4−) (CHEBI:76393) is conjugate base of (2E,15Z)-tetracosadienoyl-CoA (CHEBI:76523)
Incoming Relation(s)
(2E,15Z)-tetracosadienoyl-CoA (CHEBI:76523) is conjugate acid of (2E,15Z)-tetracosadienoyl-CoA(4−) (CHEBI:76393)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,15Z)-tetracosa-2,15-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
2trans,15cis-tetracosadienoyl-CoA(4−)SUBMITTER
(2E,15Z)-tetracosadienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E,15Z)-tetracosadienoyl-CoAUniProt