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3-hydroxypropanoyl-CoA

PropertiesImage
MNX_IDMNXM1363894 Image of MNXM1363894
referencechebi:58528
formulaC24H36N7O18P3S
global charge-4
mol weight835.572
InChIKeyBERBFZCUSMQABM-IEXPHMLFSA-J
InChIInChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/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)CCO
MNX internals
InChI (mnx)InChI=1/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19+,23-/m1/s1 Image of MNXM1363894
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]([O:32][NH: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][PH:50]([O:49][PH:52][SH:53])=[PH:51])=[CH2:11])=[CH2:15])[CH3:22])(=[NH:26])[NH2:27])(=[NH:28])[NH2:29])[C@@H:5]([O:33][O:36]([OH:34])([OH: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) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58528
chebi:58528
BERBFZCUSMQABM-IEXPHMLFSA-J 		3-hydroxypropanoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
3-hydroxypropanoyl-CoA(4-)

sabiork.compound:2826
sabiorkM:2826
BERBFZCUSMQABM-IEXPHMLFSA-N 		3-Hydroxypropanoyl-CoA
3-Hydroxypropanoyl coenzymeA
3-Hydroxypropionyl coenzyme A
3-Hydroxypropionyl-CoA

seed.compound:cpd03375
seedM:cpd03375
BERBFZCUSMQABM-IEXPHMLFSA-J 		3-Hydroxypropanoyl-CoA
3-Hydroxypropanoyl coenzymeA
3-Hydroxypropionyl coenzyme A
3-Hydroxypropionyl-CoA
3-hydroxypropanoyl coenzymeA
3-hydroxypropanoyl-CoA
3-hydroxypropionyl-CoA
3-hydroxypropionyl-coenzyme A
beta-Hydroxypropionyl-CoA

bigg.metabolite:3hpcoa
biggM:3hpcoa
BERBFZCUSMQABM-IEXPHMLFSA-J 		3-Hydroxypropionyl-CoA
hmdb:HMDB0006807
BERBFZCUSMQABM-IEXPHMLFSA-N 		3-Hydroxypropionyl-CoA
3-Hydroxypropanoyl coenzyme A
3-Hydroxypropanoyl coenzymea
3-Hydroxypropanoyl-CoA
3-Hydroxypropanoyl-coenzyme A
3-Hydroxypropionyl coenzyme A
3-Hydroxypropionyl-coenzyme A
3-hydroxypropionyl coenzyme A
b-Hydroxypropionyl-CoA
beta-Hydroxypropionyl-CoA
beta-Hydroxypropionyl-coenzyme A
beta-hydroxypropionyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(3-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

kegg.compound:C05668
keggC:C05668
BERBFZCUSMQABM-IEXPHMLFSA-N 		3-Hydroxypropionyl-CoA
3-Hydroxypropanoyl coenzymeA
3-Hydroxypropanoyl-CoA
3-Hydroxypropionyl coenzyme A
beta-Hydroxypropionyl-CoA

SLM:000501100
slm:000501100
BERBFZCUSMQABM-IEXPHMLFSA-J 		3-hydroxypropanoyl-CoA

vmhM:3hpcoa
vmhM:3hpcoa
vmhmetabolite:3hpcoa
vmhmetabolite:3hpcoa
BERBFZCUSMQABM-IEXPHMLFSA-J 		3-hydroxypropanoyl-CoA(4-)
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(3-hydroxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]

CHEBI:27762
chebi:27762
BERBFZCUSMQABM-IEXPHMLFSA-N 		3-hydroxypropanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Hydroxypropanoyl coenzymeA
3-Hydroxypropanoyl-CoA
3-Hydroxypropionyl coenzyme A
3-Hydroxypropionyl-CoA
beta-Hydroxypropionyl-CoA

metacyc.compound:3-HYDROXY-PROPIONYL-COA
metacycM:3-HYDROXY-PROPIONYL-COA
BERBFZCUSMQABM-IEXPHMLFSA-J 		3-hydroxypropanoyl-CoA
3-hydroxypropanoyl coenzymeA
3-hydroxypropionyl-CoA
3-hydroxypropionyl-coenzyme A

lipidmaps:LMFA07050226
lipidmapsM:LMFA07050226
BERBFZCUSMQABM-IEXPHMLFSA-N 		3-hydroxypropionyl-CoA
3-Hydroxypropanoyl coenzymeA
3-Hydroxypropionyl coenzyme A
3-hydroxypropanoyl-CoA
CoA 3:0
O

hmdb:HMDB0002125
hmdb:HMDB02125
hmdb:HMDB06807
chebi:1554
chebi:20080
biggM:M_3hpcoa
keggC:M_C05668
seedM:M_cpd03375
vmhM:M_3hpcoa 		secondary/obsolete/fantasy identifier