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(2E)-dodecenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104661

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	29

formula

C₃₃H₅₂N₇O₁₇P₃S

charge

-4

mass

943.23752

reference

chebi:57330

InChIKey

IRFYVBULXZMEDE-DEEZISNZSA-J

InChI

InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b13-12+/t22-,26-,27-,28+,32-/m1/s1

SMILES

CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57330 chebi:57330	(2E)-dodecenoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} trans-dodec-2-enoyl-CoA(4-)
seed.compound:cpd02060 seedM:cpd02060	(2E)-Dodecenoyl-CoA (2E)-Dodec-2-enoyl-CoA (2E)-dodec-2-enoyl-CoA (2E)-dodecenoyl-CoA 2-trans-Dodecenoyl-CoA 2-trans-dodecenoyl-CoA trans-Dodec-2-enoyl-CoA trans-dd2coa trans-dodec-2-enoyl-CoA
metacyc.compound:CPD-7222 metacycM:CPD-7222	(2E)-dodec-2-enoyl-CoA (2E)-dodecenoyl-CoA 2-trans-dodecenoyl-CoA trans-dodec-2-enoyl-CoA
SLM:000000909 slm:000000909	(2E)-dodecenoyl-CoA
kegg.compound:C03221 keggC:C03221	2-trans-Dodecenoyl-CoA (2E)-Dodec-2-enoyl-CoA (2E)-Dodecenoyl-CoA
sabiork.compound:2706 sabiorkM:2706	2-trans-Dodecenoyl-CoA (2E)-Dodec-2-enoyl-CoA (2E)-Dodecenoyl-CoA trans-Dodec-2-enoyl-CoA
lipidmaps:LMFA07050176 lipidmapsM:LMFA07050176	2E-Dodecenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 12:1
bigg.metabolite:dd2coa biggM:dd2coa	Trans-Dodec-2-enoyl-CoA
reactome:R-ALL-77255 reactomeM:R-ALL-77255 CHEBI:15471 chebi:15471	trans-dodec-2-enoyl-CoA (2E)-Dodec-2-enoyl-CoA (2E)-Dodecenoyl-CoA 2-trans-Dodecenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
chebi:11489 chebi:1287 chebi:19790 biggM:M_dd2coa keggC:M_C03221 seedM:M_cpd02060	secondary/obsolete/fantasy identifier