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trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA

MNXM13082 is deprecated and here replaced by MNXM1103918
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103918

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

formula

C₃₁H₅₀N₇O₁₇P₃S

charge

mass

917.21967

reference

keggC:C11945

InChIKey

MPYXOYHSKAAPLW-AVJOVGNRSA-N

InChI

InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-8+/t20-,23-,24-,25+,29-/m1/s1

SMILES

C=C(C/C=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)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd08742 seedM:cpd08742 kegg.compound:C11945 keggC:C11945	trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA
bigg.metabolite:t2m26dcoa biggM:t2m26dcoa	Trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA
biggM:M_t2m26dcoa keggC:M_C11945 seedM:M_cpd08742	secondary/obsolete/fantasy identifier