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6-carboxyhexanoyl-CoA

PropertiesImage
MNX_IDMNXM727687 Image of MNXM727687
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](N2C=NC3=C2N=CN=C3N)[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 MNXM727687
SMILES (mnx)[CH3:1][C:28]([CH3:2])([CH2:13][O:51][P:57]([OH:48])(=[O:49])[O:54][P:56]([OH:46])(=[O:47])[O:50][CH2:12][C@@H:16]1[C@@H:22]([O:53][P:55]([OH:43])([OH:44])=[O:45])[C@@H:21]([OH:40])[C@H:27]([N:35]2[CH:15]=[N:34][C:20]3=[C:24]([NH2:29])[N:32]=[CH:14][N:33]=[C:25]32)[O:52]1)[C@H:23]([C:26](=[N:31][CH2:9][CH2:8][C:17](=[N:30][CH2:10][CH2:11][S:58][C:19]([CH2:7][CH2:5][CH2:3][CH2:4][CH2:6][C:18](=[O:37])[OH:38])=[O:39])[OH:36])[OH:42])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 9
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

bigg.metabolite:pmcoa
biggM:pmcoa
envipath:...08b6b7e591b5
envipathM:...08b6b7e591b5
vmhM:pmcoa
vmhmetabolite:pmcoa
LYCRXMTYUZDUGA-UHFFFAOYSA-I
LYCRXMTYUZDUGA-UHFFFAOYSA-J
LYCRXMTYUZDUGA-UHFFFAOYSA-M 		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

bigg.metabolite:pimACP
biggM:pimACP 		Pimeloyl-[acyl-carrier protein]

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
biggM:M_pimACP
biggM:M_pmcoa
keggC:M_C01063
seedM:M_cpd00782
vmhM:M_pmcoa 		secondary/obsolete/fantasy identifier