decanoyl-CoA
Chemical Formula:
C31H50N7O17P3S
Molecular Weight:
917.754 Daltons
Monoisotopic Mass:
921.2509735655 Daltons
SMILES:
CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
InChI:
1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t20-,24-,25-,26+,30-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-10267
BiGG:
dcacoa
RefMet:
Decanoyl-CoA
MetaboLights:
MTBLC61430
HMDB:
HMDB06404
ChEBI:
61430
KEGG:
C05274
Reactome:
77308
Seed:
cpd03128
MetaNetX:
MNXM486