(+)-7-epi-jasmonoyl-CoA
Chemical Formula:
C33H48N7O18P3S
Molecular Weight:
955.76 Daltons
Monoisotopic Mass:
959.2302381234 Daltons
SMILES:
CCC=CCC1(C(=O)CCC1CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-])=O)
InChI:
1S/C33H52N7O18P3S/c1-4-5-6-7-20-19(8-9-21(20)41)14-24(43)62-13-12-35-23(42)10-11-36-31(46)28(45)33(2,3)16-55-61(52,53)58-60(50,51)54-15-22-27(57-59(47,48)49)26(44)32(56-22)40-18-39-25-29(34)37-17-38-30(25)40/h5-6,17-20,22,26-28,32,44-45H,4,7-16H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b6-5-/t19-,20+,22-,26-,27-,28+,32-/m1/s1
InChIKey:
Synonyms
- (+)-7-iso-jasmonoyl-CoA
Databases
MetaCyc:
CPD-11529
PubChem (CID):
126961028
Seed:
cpd22988
MetaNetX:
MNXM164856