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CHEBI:27962 - pent-2-enoyl-CoA

ChEBI IDCHEBI:27962
ChEBI Namepent-2-enoyl-CoA
Stars
Secondary ChEBI IDsCHEBI:7970, CHEBI:25870
Last Modified5 February 2018
DownloadsMolfile
FormulaC26H42N7O17P3S
Net Charge0
Average Mass849.643
Monoisotopic Mass849.15707
SMILES[H]C(=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)CC
InChIInChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1
InChIKeyGJSFKOVNQYGUGN-ZMHDXICWSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
pent-2-enoyl-CoA (CHEBI:27962) has functional parent coenzyme A (CHEBI:15346)
pent-2-enoyl-CoA (CHEBI:27962) is a alk-2-enoyl-CoA (CHEBI:15469)
pent-2-enoyl-CoA (CHEBI:27962) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
pent-2-enoyl-CoA (CHEBI:27962) is a short-chain fatty acyl-CoA (CHEBI:61905)
pent-2-enoyl-CoA (CHEBI:27962) is conjugate acid of pent-2-enoyl-CoA(4−) (CHEBI:83324)
Incoming Relation(s)
(2E)-pentenoyl-CoA (CHEBI:86441) is a pent-2-enoyl-CoA (CHEBI:27962)
pent-2-enoyl-CoA(4−) (CHEBI:83324) is conjugate base of pent-2-enoyl-CoA (CHEBI:27962)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pent-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl}dihydrogen diphosphate)
Synonym  Source
Pent-2-enoyl-CoAKEGG COMPOUND
Manual XrefsDatabases
C02451KEGG COMPOUND