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(R)-3-phenyllactoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM3766

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₀H₄₀N₇O₁₈P₃S

charge

-4

mass

911.13853

reference

chebi:57254

InChIKey

FKMUDVUPQINOSF-NHZRKUKBSA-J

InChI

InChI=1S/C30H44N7O18P3S/c1-30(2,24(41)27(42)33-9-8-20(39)32-10-11-59-29(43)18(38)12-17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-23(54-56(44,45)46)22(40)28(53-19)37-16-36-21-25(31)34-15-35-26(21)37/h3-7,15-16,18-19,22-24,28,38,40-41H,8-14H2,1-2H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t18-,19-,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)[C@H](O)Cc1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57254 chebi:57254	(R)-3-phenyllactoyl-CoA (R)-3-phenyllactyl-CoA(4-) (R)-phenyllactoyl-CoA tetraanion (R)-phenyllactoyl-CoA(4-) (R)-phenyllactoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
metacyc.compound:CPD-5922 metacycM:CPD-5922	(R)-3-(phenyl)lactoyl-CoA
kegg.compound:C16257 keggC:C16257	(R)-Phenyllactyl-CoA (R)-3-(Phenyl)lactoyl-CoA
seed.compound:cpd14973 seedM:cpd14973	(R)-Phenyllactyl-CoA (R)-3-(phenyl)lactoyl-CoA (R)-phenyllactyl-CoA
CHEBI:11010 chebi:11010	(R)-phenyllactoyl-CoA (R)-3-phenyllactyl-CoA (R)-3-phenyllactyl-coenzyme A (R)-phenyllactoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
keggC:M_C16257 seedM:M_cpd14973	secondary/obsolete/fantasy identifier