phytanoyl-CoA
Chemical Formula:
C41H70N7O17P3S
Molecular Weight:
1058.022 Daltons
Monoisotopic Mass:
1061.4074742075002 Daltons
SMILES:
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(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-])=O
InChI:
1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t27-,28-,29?,30-,34-,35-,36+,40-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-206
PubChem (CID):
90658363
HMDB:
HMDB01359
ChEBI:
15538
KEGG:
C02060
Reactome:
389615
Seed:
cpd01402
MetaNetX:
MNXM931