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(3,5-dihydroxyphenyl)acetyl-CoA

MNXM6776 is deprecated and here replaced by MNXM1107614
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107614

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₉H₃₈N₇O₁₉P₃S

charge

-4

mass

913.1178

reference

chebi:84554

InChIKey

MAFTTXQJASXWBB-CECATXLMSA-J

InChI

InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h7-8,10,13-14,18,22-24,28,37-38,41-42H,3-6,9,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-4/t18-,22-,23-,24+,28-/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)Cc1cc(O)cc(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84554 chebi:84554	(3,5-dihydroxyphenyl)acetyl-CoA 3,5-dihydroxyphenylacetyl-CoA(4-) 3,5-dihydroxyphenylacetyl-coenzyme A(4-)
metacyc.compound:CPD-17515 metacycM:CPD-17515	(3,5-dihydroxyphenyl)acetyl-CoA
kegg.compound:C12324 keggC:C12324	3,5-Dihydroxyphenylacetyl-CoA
seed.compound:cpd09095 seedM:cpd09095	3,5-Dihydroxyphenylacetyl-CoA (3,5-dihydroxyphenyl)acetyl-CoA
CHEBI:31103 chebi:31103	3,5-dihydroxyphenylacetyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(3,5-dihydroxyphenyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
keggC:M_C12324 seedM:M_cpd09095	secondary/obsolete/fantasy identifier