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CHEBI:57367 - acryloyl-CoA(4−)

ChEBI IDCHEBI:57367
ChEBI Nameacryloyl-CoA(4−)
Stars
ASCII Nameacryloyl-CoA(4-)
DefinitionTetraanion of acryloyl-CoA arising from deprotonation of phosphate and diphosphate functions.
Last Modified29 March 2017
DownloadsMolfile
FormulaC24H34N7O17P3S
Net Charge-4
Average Mass817.557
Monoisotopic Mass817.09667
SMILESC=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-]
InChIInChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t13-,17-,18-,19+,23-/m1/s1
InChIKeyPOODSGUMUCVRTR-IEXPHMLFSA-J
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
acryloyl-CoA(4−) (CHEBI:57367) has role human metabolite (CHEBI:77746)
acryloyl-CoA(4−) (CHEBI:57367) is a acyl-CoA(4−) (CHEBI:58342)
acryloyl-CoA(4−) (CHEBI:57367) is conjugate base of acryloyl-CoA (CHEBI:15513)
Incoming Relation(s)
acryloyl-CoA (CHEBI:15513) is conjugate acid of acryloyl-CoA(4−) (CHEBI:57367)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(prop-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
UniProt Name  Source
acryloyl-CoAUniProt