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(E,E)-piperoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM4193Image of MNXM4193
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC33H40N7O19P3S
charge-4
mass963.13345
referencechebi:57325
InChIKeyGEVZCNXLEOONCV-TZKXQVKESA-J
InChIInChI=1S/C33H44N7O19P3S/c1-33(2,28(44)31(45)36-10-9-23(41)35-11-12-63-24(42)6-4-3-5-19-7-8-20-21(13-19)54-18-53-20)15-56-62(51,52)59-61(49,50)55-14-22-27(58-60(46,47)48)26(43)32(57-22)40-17-39-25-29(34)37-16-38-30(25)40/h3-8,13,16-17,22,26-28,32,43-44H,9-12,14-15,18H2,1-2H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b5-3+,6-4+/t22-,26-,27-,28+,32-/m1/s1
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/C=C/c1ccc2c(c1)OCO2
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:57325
chebi:57325
(E,E)-piperoyl-CoA
(E,E)-piperonyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
kegg.compound:C02611
keggC:C02611
(E,E)-Piperoyl-CoA
seed.compound:cpd01699
seedM:cpd01699
(E,E)-Piperoyl-CoA
(E,E)-piperoyl-CoA
[5-[(6-amino-9H-purin-9-yl)]-2-[[[[3-[2-[2-(5-benzo[1,3]dioxol- 5-ylpenta-2,4-dienoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-3- hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphinoyl]oxy-hydroxy- phosphinoyl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] oxyphosphonic acid
CHEBI:15464
chebi:15464
(E,E)-piperonyl-CoA
(E,E)-Piperoyl-CoA
(E,E)-piperoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050147
lipidmapsM:LMFA07050147
(E,E)-piperonyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
CoA 12:7
O2
metacyc.compound:EE-PIPEROYL-COA
metacycM:EE-PIPEROYL-COA
(E,E)-piperoyl-CoA
[5-[(6-amino-9H-purin-9-yl)]-2-[[[[3-[2-[2-(5-benzo[1,3]dioxol- 5-ylpenta-2,4-dienoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-3- hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphinoyl]oxy-hydroxy- phosphinoyl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] oxyphosphonic acid
chebi:10958
chebi:18632
chebi:281
keggC:M_C02611
seedM:M_cpd01699
secondary/obsolete/fantasy identifier