CHEBI:15540 - sinapoyl-CoA

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ChEBI Name sinapoyl-CoA
ChEBI ID CHEBI:15540
Definition A trans-2-enoyl-CoA that is the S-sinapoyl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26686, CHEBI:9155, CHEBI:15087
Supplier Information
Download Molfile XML SDF
Formula C32H46N7O20P3S
Net Charge 0
Average Mass 973.73010
Monoisotopic Mass 973.17312
InChI InChI=1S/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38-23-28(33)36-15-37-29(23)39/h5-6,11-12,15-16,20,25-27,31,42-44H,7-10,13-14H2,1-4H3,(H,34,40)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t20-,25-,26-,27+,31-/m1/s1
InChIKey RBFUWESMWRUGFY-GSNIOFLCSA-N
SMILES COc1cc(\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)ncnc23)cc(OC)c1O
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 sinapoyl-CoA (CHEBI:15540) has functional parent coenzyme A (CHEBI:15346)
sinapoyl-CoA (CHEBI:15540) is a trans-2-enoyl-CoA (CHEBI:50998)
sinapoyl-CoA (CHEBI:15540) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
sinapoyl-CoA (CHEBI:15540) is conjugate acid of sinapoyl-CoA(4−) (CHEBI:57393)
Incoming sinapoyl-CoA(4−) (CHEBI:57393) is conjugate base of sinapoyl-CoA (CHEBI:15540)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acroyl]-CoA ChEBI
Sinapoyl-CoA KEGG COMPOUND
Manual Xrefs Databases
C00007283 KNApSAcK
C00411 KEGG COMPOUND
View more database links
Registry Number Type Source
54429-80-0 CAS Registry Number KEGG COMPOUND
Last Modified
05 February 2018