sinapoyl-CoA

Properties MNX_ID MNXM953 formula C32H42N7O20P3S charge -4 mass 969.698343 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]([C@H](O)[C@@H]2OP([O-])([O-])=O)n2cnc3c(N)ncnc23)cc(OC)c1O

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	15
Distinct compatimentalized reactions in models	2

Similar chemical compounds in external resources

Identifier	Description
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
chebi:57393	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-)
keggC:C00411 sabiorkM:5078	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
seedM:cpd00326	Sinapoyl-CoA sinapinoyl-CoA sinapoyl-CoA
lipidmaps: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} [(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acroyl]-CoA
MNXM90871	is deprecated and replaced by this entry