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octanedioyl-CoA

MNXM163582 is deprecated and here replaced by MNXM1101921
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101921

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	11

formula

C₂₉H₄₃N₇O₁₉P₃S

charge

-5

mass

918.15747

reference

chebi:76317

InChIKey

DBCRIBJPCBKAME-NOQDIWQESA-I

InChI

InChI=1S/C29H48N7O19P3S/c1-29(2,24(42)27(43)32-10-9-18(37)31-11-12-59-20(40)8-6-4-3-5-7-19(38)39)14-52-58(49,50)55-57(47,48)51-13-17-23(54-56(44,45)46)22(41)28(53-17)36-16-35-21-25(30)33-15-34-26(21)36/h15-17,22-24,28,41-42H,3-14H2,1-2H3,(H,31,37)(H,32,43)(H,38,39)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-5/t17-,22-,23-,24+,28-/m1/s1

SMILES

CC(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)CCCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76317 chebi:76317	octanedioyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatoheptanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} octanedioyl-CoA(5-) octanedioyl-coenzyme A(5-) suberoyl-CoA(5-) suberoyl-coenzyme A(5-)
SLM:000389483 slm:000389483	Octanedioyl-CoA
bigg.metabolite:sbcoa biggM:sbcoa	Suberyl-CoA octadioyl-CoA
CHEBI:76352 chebi:76352	octanedioyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyheptanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} octanedioyl-coenzyme A suberoyl-CoA suberoyl-coenzyme A
biggM:M_sbcoa	secondary/obsolete/fantasy identifier