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S-2-(indol-3-yl)acetyl-CoA

MNXM4015 is deprecated and here replaced by MNXM735462
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM735462

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

formula

C₃₁H₃₉N₈O₁₇P₃S

charge

-4

mass

920.13887

reference

chebi:57271

InChIKey

WXOGUAPLOCTRFO-HSJNEKGZSA-J

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)/p-4/t20-,24-,25-,26+,30-/m1/s1

SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1c[nH]c2ccccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57271 chebi:57271	S-2-(indol-3-yl)acetyl-CoA 3'-phosphonatoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(1H-indol-3-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) diphosphate] S-(indol-3-ylacetyl)-CoA(4-) indol-3-ylacetyl-CoA tetraanion indol-3-ylacetyl-CoA(4-) indol-3-ylacetyl-coenzyme A(4-)
metacyc.compound:S-2-INDOL-3-YLACETYL-COA metacycM:S-2-INDOL-3-YLACETYL-COA	(indol-3 yl)acetyl-CoA (indolyl)acetyl-CoA
kegg.compound:C15489 keggC:C15489	S-2-(Indol-3-yl)acetyl-CoA
seed.compound:cpd11175 seedM:cpd11175	S-2-(Indol-3-yl)acetyl-CoA (indol-3 yl)acetyl-CoA (indolyl)acetyl-CoA S-2-(indol-3 yl)acetyl-CoA S-2-(indol-3-yl)acetyl-CoA indaccoa indol-3-ylacetyl-CoA
CHEBI:12755 chebi:12755 lipidmaps:LMFA07050330 lipidmapsM:LMFA07050330	indol-3-ylacetyl-CoA 3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(1H-indol-3-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate] S-(indol-3-ylacetyl)-CoA S-(indol-3-ylacetyl)-coenzyme A indol-3-ylacetyl-coenzyme A
keggC:M_C15489 seedM:M_cpd11175	secondary/obsolete/fantasy identifier