2-hydroxyphytanoyl-CoA
Chemical Formula:
C41H70N7O18P3S
Molecular Weight:
1074.021 Daltons
Monoisotopic Mass:
1077.4023888296 Daltons
SMILES:
CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=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/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t26?,27?,28?,29-,32?,33-,34-,35+,39-/m1/s1
InChIKey:
Databases
MetaCyc:
2-HYDROXYPHYTANOYL-COA
PubChem (CID):
45266567
MetaboLights:
MTBLC57334
ChEBI:
57334
HMDB:
HMDB01295
KEGG:
C07343
Reactome:
389594
Seed:
cpd04546
MetaNetX:
MNXM938