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6-carboxyhexanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM727687

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	12

formula

C₂₈H₄₁N₇O₁₉P₃S

charge

-5

mass

904.14182

reference

chebi:57360

InChIKey

LYCRXMTYUZDUGA-UYRKPTJQSA-I

InChI

InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/p-5/t16-,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)CCCCCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57360 chebi:57360	6-carboxyhexanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylatohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} S-(7-hydroxy-7-oxoheptanoyl)-CoA(5-) pimeloyl-CoA pentaanion pimeloyl-CoA(5-) pimeloyl-coenzyme A(5-) pimelyl-CoA(5-)
sabiork.compound:2234 sabiorkM:2234 kegg.compound:C01063 keggC:C01063	6-Carboxyhexanoyl-CoA Pimeloyl-CoA
bigg.metabolite:pmcoa biggM:pmcoa envipath:...08b6b7e591b5 envipathM:...08b6b7e591b5	Pimeloyl-CoA
seed.compound:cpd00782 seedM:cpd00782	Pimeloyl-CoA 6-Carboxyhexanoyl-CoA 6-carboxyhexanoyl-CoA pimeloyl-CoA pimelyl-CoA pmcoa
bigg.metabolite:pimACP biggM:pimACP	Pimeloyl-[acyl-carrier protein]
CHEBI:15504 chebi:15504	pimeloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 6-Carboxyhexanoyl-CoA Coenzyme A, S-(hydrogen heptanedioate) Pimeloyl-CoA Pimeloyl-coa Pimeloyl-coenzyme A Pimelyl-CoA
lipidmaps:LMFA07050363 lipidmapsM:LMFA07050363	pimeloyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} CoA 7:1 Coenzyme A, S-(hydrogen heptanedioate) O2 Pimeloyl-coa Pimeloyl-coenzyme A Pimelyl-CoA
metacyc.compound:CPD-558 metacycM:CPD-558	pimeloyl-CoA 6-carboxyhexanoyl-CoA pimelyl-CoA
chebi:12210 chebi:14838 chebi:2176 chebi:26131 biggM:M_pimACP biggM:M_pmcoa keggC:M_C01063 seedM:M_cpd00782	secondary/obsolete/fantasy identifier