CHEBI:63803 - (E)-2,3-didehydropristanoyl-CoA

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ChEBI Name (E)-2,3-didehydropristanoyl-CoA
ChEBI ID CHEBI:63803
ChEBI ASCII Name (E)-2,3-didehydropristanoyl-CoA
Definition A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2,3-didehydropristanic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H70N7O17P3S
Net Charge 0
Average Mass 1046.00700
Monoisotopic Mass 1045.37618
InChI InChI=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)/b28-16+/t26?,27?,29-,32-,33-,34+,38-/m1/s1
InChIKey WLOASZHRLIOYIA-TXRROMTDSA-N
SMILES CC(C)CCCC(C)CCCC(C)CC\C=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
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a trans-2-enoyl-CoA (CHEBI:50998)
(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a long-chain fatty acyl-CoA (CHEBI:33184)
(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100)
(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is conjugate acid of (E)-2,3-didehydropristanoyl-CoA(4−) (CHEBI:77293)
Incoming (E)-2,3-didehydropristanoyl-CoA(4−) (CHEBI:77293) is conjugate base of (E)-2,3-didehydropristanoyl-CoA (CHEBI:63803)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-((2E)-2,6,10,14-tetramethylpentadec-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonyms Sources
(E)-2,3-didehydropristanoyl-CoA ChEBI
trans-2,3-dehydropristanoyl-CoA ChEBI
trans-2,3-didehydropristanoyl-CoA ChEBI
Last Modified
05 February 2018