(11E)-tetradecenoyl-CoA

(11<i>E</i>)-tetradecenoyl-CoA




Chemical Formula:
C35H56N7O17P3S
Molecular Weight:
971.845 Daltons
Monoisotopic Mass:
975.2979237581001 Daltons
SMILES:
CCC=CCCCCCCCCCC(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/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,22-24,28-30,34,45-46H,4,7-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b6-5+/t24-,28-,29-,30+,34-/m1/s1
InChIKey:
WFGNMSCJASVFQK-XNKJMYHLSA-J

Synonyms
  • [5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-2-[[hydroxy-[hydroxy-[3- hydroxy-2,2-dimethyl-3-[2-(2-tetradec-11- enoylsulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]-phosphinoyl] oxy-phosphinoyl]oxymethyl]tetrahydrofuran-3-yl]oxyphosphonic acid
  • (E)-tetradec-11-enoyl-CoA

Databases
MetaCyc:  E-11-TETRADECENOYL-COA
RefMet:  11E-tetradecenoyl-CoA
ChEBI:  57322
PubChem (CID):  45266557
KEGG:  C06736
Seed:  cpd04123
MetaNetX:  MNXM2437