CHEBI:79972 - S-2-(Indol-3-yl)acetyl-CoA

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ChEBI Name S-2-(Indol-3-yl)acetyl-CoA
ChEBI ID CHEBI:79972
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H43N8O17P3S
Net Charge 0
Average Mass 924.70300
Monoisotopic Mass 924.16797
InChI 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)/t20-,24-,25-,26?,30-/m1/s1
InChIKey WXOGUAPLOCTRFO-BOJFXZHGSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1c[nH]c2ccccc12
ChEBI Ontology
Outgoing S-2-(Indol-3-yl)acetyl-CoA (CHEBI:79972) is a organic molecule (CHEBI:72695)
Manual Xref Database
C15489 KEGG COMPOUND
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