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cinnamoyl-CoA

MNXM987 is deprecated and here replaced by MNXM1372621
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372621 Image of MNXM1372621
referencechebi:15463
formulaC30H42N7O17P3S
global charge0
mol weight897.687
InChIKeyJVNVHNHITFVWIX-FUEUKBNZSA-N
InChIInChI=1S/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,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=CC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h3-9,16-17,19,23-25,29,40-41H,10-15H2,1-2H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8?/t19-,23-,24-,25+,29-/m1/s1 Image of MNXM1372621
SMILES (mnx)[CH3:1][C:30]([CH3:2])([CH2:15][O:51][P:57]([OH:48])(=[O:49])[O:54][P:56]([OH:46])(=[O:47])[O:50][CH2:14][C@@H:19]1[C@@H:24]([O:53][P:55]([OH:43])([OH:44])=[O:45])[C@@H:23]([OH:40])[C@H:29]([N:37]2[CH:17]=[N:36][C:22]3=[C:26]([NH2:31])[N:34]=[CH:16][N:35]=[C:27]32)[O:52]1)[C@H:25]([C:28](=[N:33][CH2:11][CH2:10][C:20](=[N:32][CH2:12][CH2:13][S:58][C:21]([CH:9]=[CH:8][C:18]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)=[O:39])[OH:38])[OH:42])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15463
chebi:15463
JVNVHNHITFVWIX-FUEUKBNZSA-N 		cinnamoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylprop-2-enoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
3-phenylacryloyl-CoA
3-phenylacryloyl-coenzyme A
3-phenylprop-2-enoyl-coenzyme A
Cinnamoyl-CoA
benzylideneacetyl-CoA
benzylideneacetyl-coenzyme A
beta-phenylacryloyl-CoA
beta-phenylacryloyl-coenzyme A
cinnamoyl-coenzyme A

sabiork.compound:2083
sabiorkM:2083
vmhM:cnmlcoa
vmhmetabolite:cnmlcoa
JVNVHNHITFVWIX-FUEUKBNZSA-N 		Cinnamoyl-CoA

seed.compound:cpd26724
seedM:cpd26724
JVNVHNHITFVWIX-FUEUKBNZSA-J 		Cinnamoyl-CoAs

lipidmaps:LMFA07050294
lipidmapsM:LMFA07050294
JVNVHNHITFVWIX-FUEUKBNZSA-N 		Cinnamoyl-CoA
3-Phenyl-2E-propenoyl-CoA
3-phenylacryloyl-CoA
3-phenylacryloyl-coenzyme A
3-phenylprop-2-enoyl-coenzyme A
CoA 9:5
benzylideneacetyl-CoA
benzylideneacetyl-coenzyme A
beta-phenylacryloyl-CoA
beta-phenylacryloyl-coenzyme A
cinnamoyl-coenzyme A

CHEBI:57324
chebi:57324
JVNVHNHITFVWIX-FUEUKBNZSA-J 		cinnamoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylprop-2-enoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}
3-phenylacrylyl-CoA(4-)
benzylideneacetyl-CoA(4-)
beta-phenylacrylyl-CoA(4-)
cinnamoyl-CoA tetraanion
cinnamoyl-coenzyme A(4-)

chebi:13995
chebi:3712
seedM:M_cpd26724
vmhM:M_cnmlcoa 		secondary/obsolete/fantasy identifier