6-trans-3-oxo-tridecenoyl-CoA

Chemical Formula:

C₃₄H₅₂N₇O₁₈P₃S

Molecular Weight:

971.802 Daltons

Monoisotopic Mass:

975.2615382518001 Daltons

SMILES:

CCCCCCC=CCCC(=O)CC(=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/C34H56N7O18P3S/c1-4-5-6-7-8-9-10-11-12-22(42)17-25(44)63-16-15-36-24(43)13-14-37-32(47)29(46)34(2,3)19-56-62(53,54)59-61(51,52)55-18-23-28(58-60(48,49)50)27(45)33(57-23)41-21-40-26-30(35)38-20-39-31(26)41/h9-10,20-21,23,27-29,33,45-46H,4-8,11-19H2,1-3H3,(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/p-4/b10-9+/t23-,27-,28-,29+,33-/m1/s1

InChIKey:

FDXHXLPCLXEYSU-HMXWSVNBSA-J

Synonyms

6E-3-oxo-tridecenoyl-CoA

Databases

MetaCyc: CPD-15676

PubChem (CID): 90657406

MetaNetX: MNXM147867