6-trans-tridecenoyl-CoA

Chemical Formula:

C₃₄H₅₄N₇O₁₇P₃S

Molecular Weight:

957.819 Daltons

Monoisotopic Mass:

961.2822736939 Daltons

SMILES:

CCCCCCC=CCCCCC(=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/C34H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h9-10,21-23,27-29,33,44-45H,4-8,11-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/b10-9+/t23-,27-,28-,29+,33-/m1/s1

InChIKey:

UUIVZEBYPBPKLL-HMXWSVNBSA-J

Synonyms

6E-tridecenoyl-CoA

Databases

MetaCyc: CPD-15651

PubChem (CID): 90658572

MetaNetX: MNXM147868