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(indol-3-yl)acetyl-CoA

MNXM4015 is deprecated and here replaced by MNXM735462
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735462 Image of MNXM735462
referencechebi:57271
formulaC31H39N8O17P3S
global charge-4
mol weight920.681
InChIKeyWXOGUAPLOCTRFO-HSJNEKGZSA-J
InChIInChI=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
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC1=CNC2=C1C=CC=C2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM735462
SMILES (mnx)[CH3:1][C:31]([CH3:2])([CH2:14][O:53][P:59]([OH:50])(=[O:51])[O:56][P:58]([OH:48])(=[O:49])[O:52][CH2:13][C@@H:20]1[C@@H:25]([O:55][P:57]([OH:45])([OH:46])=[O:47])[C@@H:24]([OH:42])[C@H:30]([N:39]2[CH:16]=[N:38][C:23]3=[C:27]([NH2:32])[N:36]=[CH:15][N:37]=[C:28]32)[O:54]1)[C@H:26]([C:29](=[N:34][CH2:8][CH2:7][C:21](=[N:33][CH2:9][CH2:10][S:60][C:22]([CH2:11][C:17]1=[CH:12][NH:35][C:19]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:18]12)=[O:41])[OH:40])[OH:44])[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57271
chebi:57271
WXOGUAPLOCTRFO-HSJNEKGZSA-J 		(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
WXOGUAPLOCTRFO-HSJNEKGZSA-J 		(indol-3 yl)acetyl-CoA
(indolyl)acetyl-CoA

kegg.compound:C15489
keggC:C15489
WXOGUAPLOCTRFO-HSJNEKGZSA-N 		S-2-(Indol-3-yl)acetyl-CoA
(Indol-3-yl)acetyl-CoA

seed.compound:cpd11175
seedM:cpd11175
WXOGUAPLOCTRFO-HSJNEKGZSA-J 		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
WXOGUAPLOCTRFO-HSJNEKGZSA-N 		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
S-2-(indol-3-yl)acetyl-CoA
indol-3-ylacetyl-coenzyme A

lipidmaps:LMFA07050330
lipidmapsM:LMFA07050330
WXOGUAPLOCTRFO-HSJNEKGZSA-N 		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

chebi:79972
keggC:M_C15489
seedM:M_cpd11175 		secondary/obsolete/fantasy identifier