CHEBI:77630 - trans-2-pentadecenoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-2-pentadecenoyl-CoA
ChEBI ID CHEBI:77630
ChEBI ASCII Name trans-2-pentadecenoyl-CoA
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-pentadecenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H62N7O17P3S
Net Charge 0
Average Mass 989.90000
Monoisotopic Mass 989.31358
InChI InChI=1S/C36H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h15-16,23-25,29-31,35,46-47H,4-14,17-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b16-15+/t25-,29-,30-,31+,35-/m1/s1
InChIKey BUFWYEICGKLDLP-OUZMRWKYSA-N
SMILES CCCCCCCCCCCC\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 trans-2-pentadecenoyl-CoA (CHEBI:77630) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
trans-2-pentadecenoyl-CoA (CHEBI:77630) is a trans-2-enoyl-CoA (CHEBI:50998)
trans-2-pentadecenoyl-CoA (CHEBI:77630) is a long-chain fatty acyl-CoA (CHEBI:33184)
trans-2-pentadecenoyl-CoA (CHEBI:77630) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
trans-2-pentadecenoyl-CoA (CHEBI:77630) is conjugate acid of trans-2-pentadecenoyl-CoA(4−) (CHEBI:77545)
Incoming trans-2-pentadecenoyl-CoA(4−) (CHEBI:77545) is conjugate base of trans-2-pentadecenoyl-CoA (CHEBI:77630)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-pentadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(E)-2-pentadecenoyl-CoA ChEBI
(E)-pentadec-2-enoyl-CoA ChEBI
trans-pentadec-2-enoyl-CoA ChEBI
Last Modified
05 February 2018