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(3Z)-dodecenoyl-CoA

MNXM3949 is deprecated and here replaced by MNXM1103969
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103969

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	7

formula

C₃₃H₅₂N₇O₁₇P₃S

charge

-4

mass

943.23752

reference

chebi:58543

InChIKey

XEMIVMKTVGRFTD-REDSNERGSA-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/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b12-11-/t22-,26-,27-,28+,32-/m1/s1

SMILES

CCCCCCCC/C=C\CC(=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:58543 chebi:58543	(3Z)-dodecenoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-dodec-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} cis-dodec-3-enoyl-CoA(4-)
seed.compound:cpd01887 seedM:cpd01887	(3Z)-Dodecenoyl-CoA (3Z)-Dodec-3-enoyl-CoA (3Z)-dodec-3-enoyl-CoA (3Z)-dodecenoyl-CoA 12:1 cis-3 12:1(n-9) 3-cis-Dodecenoyl coenzyme A 3-cis-Dodecenoyl-CoA 3-cis-dodecenoyl-CoA C12:1(C3)-COA cis-3-dodecenoyl-CoA
metacyc.compound:CPD-7221 metacycM:CPD-7221	(3Z)-dodec-3-enoyl-CoA (3Z)-dodecenoyl-CoA 12:1 cis-3 12:1(n-9) 3-cis-dodecenoyl-CoA cis-3-dodecenoyl-CoA
kegg.compound:C02944 keggC:C02944	3-cis-Dodecenoyl-CoA (3Z)-Dodec-3-enoyl-CoA (3Z)-Dodecenoyl-CoA 3-cis-Dodecenoyl coenzyme A
bigg.metabolite:dd3coa biggM:dd3coa	3-dodecenoyl CoA
CHEBI:27989 chebi:27989	cis-dodec-3-enoyl-CoA (3Z)-Dodec-3-enoyl-CoA (3Z)-Dodecenoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-dodec-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-cis-Dodecenoyl coenzyme A 3-cis-Dodecenoyl-CoA
lipidmaps:LMFA07050302 lipidmapsM:LMFA07050302	cis-dodec-3-enoyl-CoA - 3Z-dodecenoyl-CoA CoA 12:1
chebi:11752 chebi:1680 chebi:19987 biggM:M_dd3coa keggC:M_C02944 seedM:M_cpd01887	secondary/obsolete/fantasy identifier