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(3R)-3-amino-3-phenylpropanoyl-CoA

MNXM6006 is deprecated and here replaced by MNXM738713
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738713

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₃₀H₄₂N₈O₁₇P₃S

charge

-3

mass

911.16179

reference

chebi:79188

InChIKey

SUUAAMNYLVZHRN-JOQFVOQGSA-K

InChI

InChI=1S/C30H45N8O17P3S/c1-30(2,25(42)28(43)34-9-8-20(39)33-10-11-59-21(40)12-18(31)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)38-16-37-22-26(32)35-15-36-27(22)38/h3-7,15-16,18-19,23-25,29,41-42H,8-14,31H2,1-2H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-3/t18-,19-,23-,24-,25+,29-/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[C@@H]([NH3+])c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:79188 chebi:79188	(3R)-3-amino-3-phenylpropanoyl-CoA (3R)-3-ammonio-3-phenylpropanoyl-CoA(3-)
metacyc.compound:CPD-9207 metacycM:CPD-9207 seed.compound:cpd25603 seedM:cpd25603	(3R)-3-amino-3-phenylpropanoyl-CoA (3R)-beta-phenylalanoyl-CoA beta-phenylalanoyl-CoA ester
CHEBI:83170 chebi:83170	(3R)-3-amino-3-phenylpropanoyl-CoA (R)-3-Amino-3-phenylpropanoyl-CoA (R)-beta-Phenylalanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-3-amino-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Amino phenylpropanoyl-CoA beta-Phenylalanoyl-CoA
seed.compound:cpd16585 seedM:cpd16585 kegg.compound:C16833 keggC:C16833	beta-Phenylalanoyl-CoA (R)-3-Amino-3-phenylpropanoyl-CoA (R)-beta-Phenylalanoyl-CoA Amino phenylpropanoyl-CoA
keggC:M_C16833 seedM:M_cpd16585 seedM:M_cpd25603	secondary/obsolete/fantasy identifier