2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA

Chemical Formula:

C₂₉H₃₈N₇O₁₈P₃S

Molecular Weight:

897.637 Daltons

Monoisotopic Mass:

901.1519878024 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC12(OC1C=CC=C2))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]

InChI:

1S/C29H42N7O18P3S/c1-28(2,23(40)26(41)32-8-6-18(37)31-9-10-58-19(38)11-29-7-4-3-5-17(29)52-29)13-50-57(47,48)54-56(45,46)49-12-16-22(53-55(42,43)44)21(39)27(51-16)36-15-35-20-24(30)33-14-34-25(20)36/h3-5,7,14-17,21-23,27,39-40H,6,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t16-,17?,21-,22-,23+,27-,29?/m1/s1

InChIKey:

ZTMHVINYLDVBNO-FOGVYBFTSA-J

Synonyms

2-{7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl}acetyl-CoA

Databases

MetaCyc: CPD0-2362

ChEBI: 63458

PubChem (CID): 46926193

Seed: cpd21301

MetaNetX: MNXM2919

KEGG: C20062