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