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3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA

MNXM163677 is deprecated and replaced by MNXM6782

Properties

Image

Occurences in reactions

MNX_ID

MNXM6782

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

formula

C₃₀H₄₀N₇O₁₉P₃S

charge

-4

mass

927.13345

reference

metacycM:CPD-12199

InChIKey

VDDFXUMTXCQMFM-UGDQNKSBSA-J

InChI

InChI=1S/C30H44N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)11-18(39)16-3-5-17(38)6-4-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31)34-14-35-27(22)37/h3-6,14-15,18-19,23-25,29,38-39,42-43H,7-13H2,1-2H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-4/t18-,19+,23+,24+,25-,29+/m0/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)C[C@H](O)c1ccc(O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-12199 metacycM:CPD-12199	3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA 3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA
seed.compound:cpd23287 seedM:cpd23287	3-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA 3-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA 3S-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA 3S-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA
CHEBI:73500 chebi:73500	3-hydroxy-3-(4-hydroxyphenyl)propanoyl-CoA 3-(4-hydroxyphenyl)-3-hydroxy-propionyl-CoA 3-hydroxy-3-(4-hydroxyphenyl)propanoyl-CoA(4-) 3-hydroxy-3-(4-hydroxyphenyl)propanoyl-coenzyme A(4-) 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA(4-) 3-hydroxy-3-(4-hydroxyphenyl)propionyl-coenzyme A(4-)
CHEBI:73549 chebi:73549	3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-hydroxy-3-(4-hydroxyphenyl)propanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-(4-hydroxyphenyl)-3-hydroxypropionyl-CoA 3-hydroxy-3-(4-hydroxyphenyl)propanoyl-CoA 3-hydroxy-3-(4-hydroxyphenyl)propanoyl-coenzyme A 3-hydroxy-3-(4-hydroxyphenyl)propionyl-coenzyme A
seedM:M_cpd23287	secondary/obsolete/fantasy identifier