CHEBI:77548 - trans-2-undecenoyl-CoA(4−)

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ChEBI Name trans-2-undecenoyl-CoA(4−)
ChEBI ID CHEBI:77548
ChEBI ASCII Name trans-2-undecenoyl-CoA(4-)
Definition A monounsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of trans-2-undecenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
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Formula C32H50N7O17P3S
Net Charge -4
Average Mass 929.76500
Monoisotopic Mass 929.22187
InChI InChI=1S/C32H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h11-12,19-21,25-27,31,42-43H,4-10,13-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/b12-11+/t21-,25-,26-,27+,31-/m1/s1
InChIKey CAVMKINPGRCURL-PHHHIDLGSA-J
SMILES CCCCCCCC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is conjugate base of trans-2-undecenoyl-CoA (CHEBI:78177)
Incoming trans-2-undecenoyl-CoA (CHEBI:78177) is conjugate acid of trans-2-undecenoyl-CoA(4−) (CHEBI:77548)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-undec-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] diphosphate}
Synonyms Sources
(E)-2-undecenoyl-CoA(4−) ChEBI
(E)-2-undecenoyl-coenzyme A(4−) ChEBI
2-trans-undecenoyl-CoA MetaCyc
2E-undecenoyl-CoA MetaCyc
trans-2-undecenoyl-CoA UniProt
trans-2-undecenoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD-15656 MetaCyc
View more database links
Citation Waiting for Citations Type Source
16020546 PubMed citation SUBMITTER
Last Modified
09 December 2015