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3-hydroxy-6-carboxyhexanoyl-CoA

MNXM2188 is deprecated and here replaced by MNXM732602
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732602

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

formula

C₂₈H₄₁N₇O₂₀P₃S

charge

-5

mass

920.13674

reference

chebi:57343

InChIKey

VGEBXBQECGWCRH-JXUSAFQPSA-I

InChI

InChI=1S/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13-33-25(20)35/h13-16,21-23,27,36,41-42H,3-12H2,1-2H3,(H,30,37)(H,31,43)(H,38,39)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)/p-5/t15?,16-,21-,22-,23+,27-/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)CC(O)CCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57343 chebi:57343	3-hydroxy-6-carboxyhexanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylato-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} 3-hydroxypimeloyl-CoA(5-)
kegg.compound:C06714 keggC:C06714	3-Hydroxypimeloyl-CoA 3-Hydroxypimelyl-CoA
seed.compound:cpd04103 seedM:cpd04103	3-Hydroxypimelyl-CoA 3-HYDROXYPIMELOYL-COA 3-Hydroxypimeloyl-CoA 3-hydroxy-6-carboxyhexanoyl-CoA 3-hydroxypimeloyl-CoA 3-hydroxypimelyl-CoA 5-hydroxy-7-oxoheptanoyl-CoA
CHEBI:15485 chebi:15485	3-hydroxypimeloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-Hydroxypimeloyl-CoA 3-Hydroxypimelyl-CoA 3-hydroxypimeloyl-coenzyme A 3-hydroxypimelyl-coenzyme A S-(6-carboxy-3-hydroxyhexanoyl)-coenzyme A
lipidmaps:LMFA07050224 lipidmapsM:LMFA07050224	3-hydroxypimeloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-hydroxypimeloyl-coenzyme A 3-hydroxypimelyl-coenzyme A CoA 7:1 O3 S-(6-carboxy-3-hydroxyhexanoyl)-coenzyme A
metacyc.compound:3-HYDROXYPIMELYL-COA metacycM:3-HYDROXYPIMELYL-COA	3-hydroxypimeloyl-CoA 3-hydroxy-6-carboxyhexanoyl-CoA 3-hydroxypimelyl-CoA 5-hydroxy-7-oxoheptanoyl-CoA
chebi:11834 chebi:1551 chebi:20077 keggC:M_C06714 seedM:M_cpd04103	secondary/obsolete/fantasy identifier