3-oxodecanoyl-CoA
Chemical Formula:
C31H48N7O18P3S
Molecular Weight:
931.738 Daltons
Monoisotopic Mass:
935.2302381234 Daltons
SMILES:
CCCCCCCC(=O)CC(=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/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD0-2123
RefMet:
3-oxodecanoyl-CoA
BiGG:
3odcoa
ChEBI:
62548
PubChem (CID):
53262297
MetaboLights:
MTBLC28528
HMDB:
HMDB03939
KEGG:
C05265
Reactome:
77339
Seed:
cpd03119
MetaNetX:
MNXM677