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CHEBI:61405 - trans-tetradec-2-enoyl-CoA(4−)

ChEBI IDCHEBI:61405
ChEBI Nametrans-tetradec-2-enoyl-CoA(4−)
Stars
ASCII Nametrans-tetradec-2-enoyl-CoA(4-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of trans-tetradec-2-enoyl-CoA; major species at pH 7.3.
Last Modified3 December 2016
SubmitterAnne Morgat
DownloadsMolfile
FormulaC35H56N7O17P3S
Net Charge-4
Average Mass971.854
Monoisotopic Mass971.26882
SMILESCCCCCCCCCCC/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/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b15-14+/t24-,28-,29-,30+,34-/m1/s1
InChIKeyMBCVYCOKMMMWLX-YYMFEJJQSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
trans-tetradec-2-enoyl-CoA(4−) (CHEBI:61405) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
trans-tetradec-2-enoyl-CoA(4−) (CHEBI:61405) has role human metabolite (CHEBI:77746)
trans-tetradec-2-enoyl-CoA(4−) (CHEBI:61405) is a 4-saturated trans-2-enoyl-CoA(4−) (CHEBI:85097)
trans-tetradec-2-enoyl-CoA(4−) (CHEBI:61405) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
trans-tetradec-2-enoyl-CoA(4−) (CHEBI:61405) is conjugate base of trans-tetradec-2-enoyl-CoA (CHEBI:27721)
Incoming Relation(s)
trans-tetradec-2-enoyl-CoA (CHEBI:27721) is conjugate acid of trans-tetradec-2-enoyl-CoA(4−) (CHEBI:61405)
Synonyms  Source
trans-2-tetradecenoyl-coenzyme A tetraanionChEBI
trans-tetradec-2-enoyl-CoA tetraanionChEBI
trans-tetradec-2-enoyl-coenzyme A(4−)SUBMITTER
UniProt Name  Source
(2E)-tetradecenoyl-CoAUniProt
Manual XrefsDatabases
CPD0-2120MetaCyc