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5-hydroxy-pentanoyl-CoA

PropertiesImage
MNX_IDMNXM4396 Image of MNXM4396
referencechebi:57357
formulaC26H40N7O18P3S
global charge-4
mol weight863.626
InChIKeyAMSWDUXCNHIVFP-ZMHDXICWSA-J
InChIInChI=1S/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,34,37-38H,3-12H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t15-,19-,20-,21+,25-/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)CCCCO
MNX internals
InChI (mnx)InChI=1/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,34,37-38H,3-12H2,1-2H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t15-,19-,20-,21+,25-/m1/s1 Image of MNXM4396
SMILES (mnx)[CH3:1][C:26]([CH3:2])([CH2:12][O:48][P:54]([OH:45])(=[O:46])[O:51][P:53]([OH:43])(=[O:44])[O:47][CH2:11][C@@H:15]1[C@@H:20]([O:50][P:52]([OH:40])([OH:41])=[O:42])[C@@H:19]([OH:37])[C@H:25]([N:33]2[CH:14]=[N:32][C:18]3=[C:22]([NH2:27])[N:30]=[CH:13][N:31]=[C:23]32)[O:49]1)[C@H:21]([C:24](=[N:29][CH2:7][CH2:6][C:16](=[N:28][CH2:8][CH2:10][S:55][C:17]([CH2:5][CH2:3][CH2:4][CH2:9][OH:34])=[O:36])[OH:35])[OH:39])[OH:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57357
chebi:57357
AMSWDUXCNHIVFP-ZMHDXICWSA-J 		5-hydroxy-pentanoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
5-hydroxypentanoyl-CoA tetraanion
5-hydroxypentanoyl-CoA(4-)
5-hydroxypentanoyl-coenzyme A(4-)
5-hydroxyvaleryl-CoA(4-)
omega-hydroxypentanoyl-CoA(4-)

kegg.compound:C03237
keggC:C03237
vmhM:5hptncoa
vmhmetabolite:5hptncoa
AMSWDUXCNHIVFP-ZMHDXICWSA-N 		5-Hydroxypentanoyl-CoA

seed.compound:cpd02072
seedM:cpd02072
AMSWDUXCNHIVFP-ZMHDXICWSA-J 		5-Hydroxypentanoyl-CoA
5-hydroxypentanoyl-CoA
5-hydroxyvaleryl-CoA
delta-hydroxypentanoyl-CoA
delta-hydroxyvaleryl-CoA
omega-hydroxypentanoyl-CoA
omega-hydroxyvaleryl-CoA

vmhM:5hvalcoa
vmhmetabolite:5hvalcoa
AMSWDUXCNHIVFP-ZMHDXICWSA-J 		5-Hydroxyvaleryl-CoA,5-Hydroxypentanoyl-CoA

CHEBI:15501
chebi:15501
AMSWDUXCNHIVFP-ZMHDXICWSA-N 		5-hydroxypentanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
5-Hydroxy-pentanoyl-CoA
5-hydroxypentanoyl-coenzyme A
5-hydroxyvaleryl-CoA
5-hydroxyvaleryl-coenzyme A
delta-hydroxypentanoyl-CoA
delta-hydroxypentanoyl-coenzyme A
delta-hydroxyvaleryl-CoA
delta-hydroxyvaleryl-coenzyme A
omega-hydroxypentanoyl-CoA
omega-hydroxypentanoylcoenzyme A
omega-hydroxyvaleryl-CoA
omega-hydroxyvaleryl-coenzyme A

lipidmaps:LMFA07050269
lipidmapsM:LMFA07050269
AMSWDUXCNHIVFP-ZMHDXICWSA-N 		5-hydroxypentanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
5-hydroxypentanoyl-coenzyme A
5-hydroxyvaleryl-CoA
5-hydroxyvaleryl-coenzyme A
CoA 5:0
O
delta-hydroxypentanoyl-CoA
delta-hydroxypentanoyl-coenzyme A
delta-hydroxyvaleryl-CoA
delta-hydroxyvaleryl-coenzyme A
omega-hydroxypentanoyl-CoA
omega-hydroxypentanoylcoenzyme A
omega-hydroxyvaleryl-CoA
omega-hydroxyvaleryl-coenzyme A

metacyc.compound:5-HYDROXYPENTANOYL-COA
metacycM:5-HYDROXYPENTANOYL-COA
AMSWDUXCNHIVFP-ZMHDXICWSA-J 		5-hydroxypentanoyl-CoA
5-hydroxyvaleryl-CoA
delta-hydroxypentanoyl-CoA
delta-hydroxyvaleryl-CoA
omega-hydroxypentanoyl-CoA
omega-hydroxyvaleryl-CoA

chebi:12134
chebi:20593
chebi:2066
keggC:M_C03237
seedM:M_cpd02072
vmhM:M_5hptncoa
vmhM:M_5hvalcoa 		secondary/obsolete/fantasy identifier