(3R)-3-amino-3-phenylpropanoyl-CoA
Chemical Formula:
C30H42N8O17P3S
Molecular Weight:
911.686 Daltons
Monoisotopic Mass:
915.1914473139 Daltons
SMILES:
CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC([N+])C1(C=CC=CC=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
InChI:
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
InChIKey:
Synonyms
- (3R)-β-phenylalanoyl-CoA
- β-phenylalanoyl-CoA ester
Databases
MetaCyc:
CPD-9207
ChEBI:
79188
PubChem (CID):
86289809
MetaNetX:
MNXM6006
KEGG:
C16833