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CHEBI:79188 - (3R)-3-ammonio-3-phenylpropanoyl-CoA(3−)

ChEBI IDCHEBI:79188
ChEBI Name(3R)-3-ammonio-3-phenylpropanoyl-CoA(3−)
Stars
ASCII Name(3R)-3-ammonio-3-phenylpropanoyl-CoA(3-)
DefinitionAn acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino group of (3R)-3-ammonio-3-phenylpropanoyl-CoA(3−). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified29 September 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H42N8O17P3S
Net Charge-3
Average Mass911.694
Monoisotopic Mass911.16179
SMILESCC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H]([NH3+])c1ccccc1
InChIInChI=1S/C30H45N8O17P3S/c1-30(2,25(42)28(43)34-9-8-20(39)33-10-11-59-21(40)12-18(31)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)38-16-37-22-26(32)35-15-36-27(22)38/h3-7,15-16,18-19,23-25,29,41-42H,8-14,31H2,1-2H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-3/t18-,19-,23-,24-,25+,29-/m1/s1
InChIKeySUUAAMNYLVZHRN-JOQFVOQGSA-K
ChEBI Ontology
Outgoing Relation(s)
(3R)-3-ammonio-3-phenylpropanoyl-CoA(3−) (CHEBI:79188) is a acyl-CoA oxoanion (CHEBI:58946)
(3R)-3-ammonio-3-phenylpropanoyl-CoA(3−) (CHEBI:79188) is conjugate base of (3R)-3-amino-3-phenylpropanoyl-CoA (CHEBI:83170)
Incoming Relation(s)
(3R)-3-amino-3-phenylpropanoyl-CoA (CHEBI:83170) is conjugate acid of (3R)-3-ammonio-3-phenylpropanoyl-CoA(3−) (CHEBI:79188)
UniProt Name  Source
(3R)-3-amino-3-phenylpropanoyl-CoAUniProt
Manual XrefsDatabases
CPD-9207MetaCyc