phytenoyl-CoA

Chemical Formula:

C₄₁H₆₈N₇O₁₇P₃S

Molecular Weight:

1056.006 Daltons

Monoisotopic Mass:

1059.3918241433 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/C41H72N7O17P3S/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/h21,24-28,30,34-36,40,51-52H,8-20,22-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b29-21+/t27-,28-,30-,34-,35-,36+,40-/m1/s1

InChIKey:

NYZPDFUAZACYOT-PEAQSEFFSA-J

Synonyms

E-phytenoyl-CoA
trans-phytenoyl-CoA

Databases

MetaCyc: CPD-14928

PubChem (CID): 90657969

MetaNetX: MNXM114546