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

MNXM6006 is deprecated and here replaced by MNXM738713
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738713 Image of MNXM738713
referencechebi:79188
formulaC30H42N8O17P3S
global charge-3
mol weight911.694
InChIKeySUUAAMNYLVZHRN-JOQFVOQGSA-K
InChIInChI=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
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)C[C@@H]([NH3+])C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/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)/t18-,19-,23-,24-,25+,29-/m1/s1 Image of MNXM738713
SMILES (mnx)[CH3:1][C:30]([CH3:2])([CH2:14][O:52][P:58]([OH:49])(=[O:50])[O:55][P:57]([OH:47])(=[O:48])[O:51][CH2:13][C@@H:19]1[C@@H:24]([O:54][P:56]([OH:44])([OH:45])=[O:46])[C@@H:23]([OH:41])[C@H:29]([N:38]2[CH:16]=[N:37][C:22]3=[C:26]([NH2:32])[N:35]=[CH:15][N:36]=[C:27]32)[O:53]1)[C@H:25]([C:28](=[N:34][CH2:9][CH2:8][C:20](=[N:33][CH2:10][CH2:11][S:59][C:21]([CH2:12][C@H:18]([C:17]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[NH2:31])=[O:40])[OH:39])[OH:43])[OH:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79188
chebi:79188
SUUAAMNYLVZHRN-JOQFVOQGSA-K 		(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
SUUAAMNYLVZHRN-JOQFVOQGSA-K 		(3R)-3-amino-3-phenylpropanoyl-CoA
(3R)-beta-phenylalanoyl-CoA
beta-phenylalanoyl-CoA ester

CHEBI:83170
chebi:83170
SUUAAMNYLVZHRN-JOQFVOQGSA-N 		(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
SUUAAMNYLVZHRN-JOQFVOQGSA-K
SUUAAMNYLVZHRN-JOQFVOQGSA-N 		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