(indol-3 yl)acetyl-CoA

Chemical Formula:

C₃₁H₃₉N₈O₁₇P₃S

Molecular Weight:

920.674 Daltons

Monoisotopic Mass:

924.1679722176 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1(=CNC2(C1=CC=CC=2)))=O)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/C31H43N8O17P3S/c1-31(2,26(43)29(44)34-8-7-21(40)33-9-10-60-22(41)11-17-12-35-19-6-4-3-5-18(17)19)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)39-16-38-23-27(32)36-15-37-28(23)39/h3-6,12,15-16,20,24-26,30,35,42-43H,7-11,13-14H2,1-2H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,36,37)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1

InChIKey:

WXOGUAPLOCTRFO-HSJNEKGZSA-J

Synonyms

(indolyl)acetyl-CoA

Databases

MetaCyc: S-2-INDOL-3-YLACETYL-COA

PubChem (CID): 45266537

ChEBI: 57271

KEGG: C15489

Seed: cpd11175

MetaNetX: MNXM4015