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(3E)-hexenoyl-CoA

MNXM728894 is deprecated and here replaced by MNXM1105962
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105962

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	6

formula

C₂₇H₄₀N₇O₁₇P₃S

charge

-4

mass

859.14362

reference

chebi:84790

InChIKey

SKDDJNFRAZIJIG-SYLRIUJSSA-J

InChI

InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b6-5+/t16-,20-,21-,22+,26-/m1/s1

SMILES

CC/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:84790 chebi:84790	(3E)-hexenoyl-CoA 3E-hexenoyl-CoA(4-) 3trans-hexenoyl-CoA(4-) trans-3-hexenoyl-CoA(4-)
SLM:000390079 slm:000390079	(3E)-hexenoyl-CoA
metacyc.compound:CPD-22118 metacycM:CPD-22118	(3E)-hexenoyl-CoA (E)-hex-3-enoyl-CoA 3-transhexenoyl-CoA
bigg.metabolite:hexe3coa biggM:hexe3coa	3-Hexenoyl Coenzyme A
CHEBI:85442 chebi:85442	trans-3-hexenoyl-CoA (3E)-hexenoyl-CoA (3E)-hexenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E)-hex-3-enoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3trans-hexenoyl-CoA 3trans-hexenoyl-coenzyme A trans-3-hexenoyl-coenzyme A
biggM:M_hexe3coa	secondary/obsolete/fantasy identifier