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(3R)-3-hydroxydecanoyl-CoA

PropertiesImage
MNX_IDMNXM9497 Image of MNXM9497
referencechebi:74272
formulaC31H50N7O18P3S
global charge-4
mol weight933.761
InChIKeyHIVSMYZAMUNFKZ-PDQACDDGSA-J
InChIInChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,20-,24-,25-,26+,30-/m1/s1
SMILESCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]
MNX internals
InChI (mnx)InChI=1/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1 Image of MNXM9497
SMILES (mnx)[CH:1]1([N: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][C@H:4]([NH:32][CH2:25][C:31]([CH2:24][C:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[CH:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][O:50](=[O:49])[O:51][O:53]([OH:52])[O:54][O:55][O:56][PH:57][PH:58][PH:59][SH:60])=[CH2:11])=[CH2:15])[CH3:22])(=[CH2:26])[CH3:27])(=[CH2:28])[CH3:29])[C@@H:5]([NH:33][N:36]([NH2:34])([NH2:35])=[NH:37])[CH:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74272
chebi:74272
HIVSMYZAMUNFKZ-PDQACDDGSA-J 		(3R)-3-hydroxydecanoyl-CoA
(R)-3-hydroxydecanoyl-CoA
(R)-3-hydroxydecanoyl-CoA(4-)
(R)-3-hydroxydecanoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

sabiork.compound:23708
sabiorkM:23708
HIVSMYZAMUNFKZ-PDQACDDGSA-J 		(3R)-Hydroxydecanoyl-CoA
(R)-3-Hydroxydecanoyl-CoA
Adenosine, 5'-O-[hydroxy[[hydroxy[(3R)-3-hydroxy-4-[[3-[[2-[[(3R)-3-hydroxy-1-oxodecyl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-, 3'-(dihydrogen phospha te), ion(4-)

metacyc.compound:CPD-12777
metacycM:CPD-12777
SLM:000485319
slm:000485319
HIVSMYZAMUNFKZ-PDQACDDGSA-J 		(3R)-hydroxydecanoyl-CoA

seed.compound:cpd23572
seedM:cpd23572
HIVSMYZAMUNFKZ-PDQACDDGSA-J 		(R)-3-hydroxydecanoyl-CoA
(3R)-hydroxydecanoyl-CoA

CHEBI:74405
chebi:74405
HIVSMYZAMUNFKZ-PDQACDDGSA-N 		(R)-3-hydroxydecanoyl-CoA
(R)-3-hydroxydecanoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

seedM:M_cpd23572 		secondary/obsolete/fantasy identifier