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CHEBI:77293 - (E)-2,3-didehydropristanoyl-CoA(4−)

ChEBI IDCHEBI:77293
ChEBI Name(E)-2,3-didehydropristanoyl-CoA(4−)
Stars
ASCII Name(E)-2,3-didehydropristanoyl-CoA(4-)
DefinitionA multi-methyl-branched fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (E)-2,3-didehydropristanoyl-CoA; major species at pH 7.3
Last Modified5 March 2014
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC40H66N7O17P3S
Net Charge-4
Average Mass1041.989
Monoisotopic Mass1041.34707
SMILESC/C(=C\CCC(C)CCCC(C)CCCC(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/C40H70N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h16,23-27,29,32-34,38,49-50H,8-15,17-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/b28-16+/t26?,27?,29-,32-,33-,34+,38-/m1/s1
InChIKeyWLOASZHRLIOYIA-TXRROMTDSA-J
ChEBI Ontology
Outgoing Relation(s)
(E)-2,3-didehydropristanoyl-CoA(4−) (CHEBI:77293) is a multi-methyl-branched fatty acyl-CoA(4−) (CHEBI:68458)
(E)-2,3-didehydropristanoyl-CoA(4−) (CHEBI:77293) is conjugate base of (E)-2,3-didehydropristanoyl-CoA (CHEBI:63803)
Incoming Relation(s)
(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is conjugate acid of (E)-2,3-didehydropristanoyl-CoA(4−) (CHEBI:77293)
Synonym  Source
(E)-2,3-didehydropristanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E)-pristenoyl-CoAUniProt
Citations