CHEBI:62242 - trans-oct-2-enoyl-CoA(4−)

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ChEBI Name trans-oct-2-enoyl-CoA(4−)
ChEBI ID CHEBI:62242
ChEBI ASCII Name trans-oct-2-enoyl-CoA(4-)
Definition A trans-2,3-didehydroacyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of trans-oct-2-enoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H44N7O17P3S
Net Charge -4
Average Mass 887.68300
Monoisotopic Mass 887.17492
InChI InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b9-8+/t18-,22-,23-,24+,28-/m1/s1
InChIKey CPSDNAXXKWVYIY-NTLMCJQISA-J
SMILES CCCCC\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-oct-2-enoyl-CoA(4−) (CHEBI:62242) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
trans-oct-2-enoyl-CoA(4−) (CHEBI:62242) is a 4-saturated trans-2-enoyl-CoA(4−) (CHEBI:85097)
trans-oct-2-enoyl-CoA(4−) (CHEBI:62242) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
trans-oct-2-enoyl-CoA(4−) (CHEBI:62242) is conjugate base of trans-oct-2-enoyl-CoA (CHEBI:27537)
Incoming trans-oct-2-enoyl-CoA (CHEBI:27537) is conjugate acid of trans-oct-2-enoyl-CoA(4−) (CHEBI:62242)
Synonyms Sources
(2E)-octenoyl-CoA UniProt
(2E)-octenoyl-CoA(4−) SUBMITTER
(2E)-octenoyl-coenzyme A(4−) ChEBI
trans-2,3-didehydroacyl-CoA (C8)(4−) SUBMITTER
trans-2-octenoyl-coenzyme A(4−) SUBMITTER
trans-oct-2-enoyl-coenzyme A(4−) ChEBI
Manual Xref Database
CPD0-2108 MetaCyc
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Last Modified
10 March 2017