(S)-3-hydroxydecanoyl-CoA
Chemical Formula:
C31H50N7O18P3S
Molecular Weight:
933.753 Daltons
Monoisotopic Mass:
937.2458881875999 Daltons
SMILES:
CCCCCCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O
InChI:
1S/C31H54N7O18P3S/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/h17-20,24-26,30,39,42-43H,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/t19-,20+,24+,25+,26-,30+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD0-2244
RefMet:
3-hydroxydecanoyl-CoA
BiGG:
3hdcoa
HMDB:
HMDB03938
ChEBI:
62616
PubChem (CID):
49859629
KEGG:
C05264
Reactome:
77341
Seed:
cpd03118
MetaNetX:
MNXM674