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feruloyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1373787

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₃₁H₄₄N₇O₁₉P₃S

charge

mass

943.702

reference

chebi:14261

InChIKey

GBXZVJQQDAJGSO-HSJNEKGZSA-N

InChI

InChI=1S/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,12,15-16,20,24-26,30,39,42-43H,8-11,13-14H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t20-,24-,25-,26+,30-/m1/s1

SMILES

[CH3:1][C:31]([CH3:2])([CH2:14][O:54][P:60]([OH:50])(=[O:51])[O:57][P:59]([OH:48])(=[O:49])[O:53][CH2:13][C@@H:20]1[C@@H:25]([O:56][P:58]([OH:45])([OH:46])=[O:47])[C@@H:24]([OH:42])[C@H:30]([n:38]2[cH:16][n:37][c:23]3[c:27]([NH2:32])[n:35][cH:15][n:36][c:28]32)[O:55]1)[C@H:26]([C:29](=[N:34][CH2:9][CH2:8][C:21](=[N:33][CH2:10][CH2:11][S:61][C:22]([CH:7]=[CH:5][c:17]1[cH:4][cH:6][c:18]([OH:39])[c:19]([O:52][CH3:3])[cH:12]1)=[O:41])[OH:40])[OH:44])[OH:43]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:14261 chebi:14261	feruloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-hydroxy-3-methoxycinnamoyl-CoA 4-hydroxy-3-methoxycinnamoyl-coenzyme A feruloyl-coenzyme A
sabiork.compound:5074 sabiorkM:5074	Feruloyl-CoA trans-Feruloyl-CoA
lipidmaps:LMFA07050319 lipidmapsM:LMFA07050319	feruloyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} 4-hydroxy-3-methoxycinnamoyl-CoA(4-) CoA 10:7 O2 feruloyl-CoA feruloyl-CoA tetraanion feruloyl-coenzyme A(4-)
CHEBI:57276 chebi:57276	feruloyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} 4-hydroxy-3-methoxycinnamoyl-CoA(4-) feruloyl-CoA tetraanion feruloyl-CoA(4-) feruloyl-coenzyme A(4-)