(3R)-hydroxy, 6-trans-tridecenoyl-CoA

(3R)-hydroxy, 6-<i>trans</i>-tridecenoyl-CoA




Chemical Formula:
C34H54N7O18P3S
Molecular Weight:
973.818 Daltons
Monoisotopic Mass:
977.277188316 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/C34H58N7O18P3S/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/h9-10,20-23,27-29,33,42,45-46H,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+/t22-,23-,27-,28-,29+,33-/m1/s1
InChIKey:
ADZJVTNIXNSNGU-OVQIFRBASA-J

Synonyms
  • 3-hydroxy, 6E-tridecenoyl-CoA

Databases
MetaCyc:  CPD-15652
PubChem (CID):  122706233
MetaNetX:  MNXM147783