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(E)-sinapoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM953

	#reac
in my sandbox	0
in MNXref (generic)	15
in models (compartimentalized)	3

formula

C₃₂H₄₂N₇O₂₀P₃S

charge

-4

mass

969.14401

reference

chebi:57393

InChIKey

RBFUWESMWRUGFY-GSNIOFLCSA-J

InChI

InChI=1S/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38-23-28(33)36-15-37-29(23)39/h5-6,11-12,15-16,20,25-27,31,42-44H,7-10,13-14H2,1-4H3,(H,34,40)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/b6-5+/t20-,25-,26-,27+,31-/m1/s1

SMILES

COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)([O-])[O-])cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57393 chebi:57393	(E)-sinapoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} sinapoyl-CoA(4-)
sabiork.compound:5078 sabiorkM:5078 kegg.compound:C00411 keggC:C00411	Sinapoyl-CoA
seed.compound:cpd00326 seedM:cpd00326	Sinapoyl-CoA sinapinoyl-CoA sinapoyl-CoA
lipidmaps:LMFA07050368 lipidmapsM:LMFA07050368	sinapoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 11:5 O3 [(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acroyl]-CoA
CHEBI:15540 chebi:15540	sinapoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Sinapoyl-CoA [(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acroyl]-CoA
metacyc.compound:SINAPOYL-COA metacycM:SINAPOYL-COA	sinapoyl-CoA sinapinoyl-CoA
chebi:15087 chebi:26686 chebi:9155 keggC:M_C00411 seedM:M_cpd00326	secondary/obsolete/fantasy identifier