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6-carboxyhexanoyl-CoA

PropertiesImage
MNX_IDMNXM1584504 Image of MNXM1584504
referencechebi:57360
formulaC28H41N7O19P3S
global charge-5
mol weight904.655
InChIKeyLYCRXMTYUZDUGA-UYRKPTJQSA-I
InChIInChI=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
SMILESCC(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-]
MNX internals
InChI (mnx)InChI=1/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)/t16-,21-,22-,23+,27-/m1/s1 Image of MNXM1584504
SMILES (mnx)[C@@H:1]1([O:38]2[O:39]3=[O:41]([O:43]=[O:40]2)[O:44]([OH:47])=[O:46][O:45]=[O:42]3)[CH2:2][CH:4]([NH:32][CH2:25][N:31]([CH2:24][N:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:54]([O:49][O:50][O:51][O:52][O:53][PH:57](=[PH:56])[SH:58])=[PH:55])=[CH2:11])=[CH2:15])[CH3:22])(=[CH2:26])[CH3:27])(=[CH2:28])[NH2:29])[C@H:5]([NH:33][O:36]([NH2:34])([NH2:35])=[O:37])[C@H:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57360
chebi:57360
LYCRXMTYUZDUGA-UYRKPTJQSA-I 		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
LYCRXMTYUZDUGA-UYRKPTJQSA-N 		6-Carboxyhexanoyl-CoA
Pimeloyl-CoA

kegg.compound:C01063
keggC:C01063
LYCRXMTYUZDUGA-UYRKPTJQSA-N 		Pimeloyl-CoA
6-Carboxyhexanoyl-CoA

seed.compound:cpd00782
seedM:cpd00782
LYCRXMTYUZDUGA-UYRKPTJQSA-I 		Pimeloyl-CoA
6-Carboxyhexanoyl-CoA
6-carboxyhexanoyl-CoA
pimeloyl-CoA
pimelyl-CoA
pmcoa

SLM:000597896
slm:000597896
LYCRXMTYUZDUGA-UYRKPTJQSA-I 		heptanedioyl-CoA

CHEBI:15504
chebi:15504
LYCRXMTYUZDUGA-UYRKPTJQSA-N 		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
LYCRXMTYUZDUGA-UYRKPTJQSA-N 		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
hmdb:HMDB0304466
LYCRXMTYUZDUGA-UYRKPTJQSA-N 		pimeloyl-CoA
6-Carboxyhexanoyl-CoA
7-[(2-{3-[(2R)-3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-7-oxoheptanoic acid
Pimeloyl-coenzyme A
Pimelyl-CoA
coenzyme A, S-(Hydrogen heptanedioate)
coenzyme A, S-(Hydrogen heptanedioic acid)
pimeloyl-coa

metacyc.compound:CPD-558
metacycM:CPD-558
LYCRXMTYUZDUGA-UYRKPTJQSA-I 		pimeloyl-CoA
6-carboxyhexanoyl-CoA
pimelyl-CoA

chebi:12210
chebi:14838
chebi:2176
chebi:26131
keggC:M_C01063
seedM:M_cpd00782 		secondary/obsolete/fantasy identifier