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(3S)-hydroxydecanoyl-CoA

MNXM739356 is deprecated and here replaced by MNXM1104681
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104681 Image of MNXM1104681
referencechebi:62616
formulaC31H50N7O18P3S
global charge-4
mol weight933.761
InChIKeyHIVSMYZAMUNFKZ-PNPVFPMQSA-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+/m0/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](N2C=NC3=C2N=CN=C3N)[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+/m0/s1 Image of MNXM1104681
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C@@H:19]([CH2:14][C:22](=[O:41])[S:60][CH2:13][CH2:12][N:33]=[C:21]([CH2:10][CH2:11][N:34]=[C:29]([C@@H:26]([C:31]([CH3:2])([CH3:3])[CH2:16][O:53][P:59]([OH:50])(=[O:51])[O:56][P:58]([OH:48])(=[O:49])[O:52][CH2:15][C@@H:20]1[C@@H:25]([O:55][P:57]([OH:45])([OH:46])=[O:47])[C@@H:24]([OH:42])[C@H:30]([N:38]2[CH:18]=[N:37][C:23]3=[C:27]([NH2:32])[N:35]=[CH:17][N:36]=[C:28]32)[O:54]1)[OH:43])[OH:44])[OH:40])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62616
chebi:62616
HIVSMYZAMUNFKZ-PNPVFPMQSA-J 		(3S)-hydroxydecanoyl-CoA
(S)-3-hydroxydecanoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

SLM:000001027
slm:000001027
HIVSMYZAMUNFKZ-PNPVFPMQSA-J 		(3S)-hydroxydecanoyl-CoA

bigg.metabolite:3hdcoa
biggM:3hdcoa
HIVSMYZAMUNFKZ-PNPVFPMQSA-J 		(S)-3-Hydroxydecanoyl-CoA

sabiork.compound:2741
sabiorkM:2741
HIVSMYZAMUNFKZ-PNPVFPMQSA-N 		(S)-3-Hydroxydecanoyl-CoA
(S)-Hydroxydecanoyl-CoA

vmhM:3hdcoa
vmhmetabolite:3hdcoa
HIVSMYZAMUNFKZ-PNPVFPMQSA-J 		(S)-3-Hydroxydecanoyl-CoA
{[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy

metacyc.compound:CPD0-2244
metacycM:CPD0-2244
HIVSMYZAMUNFKZ-PNPVFPMQSA-J 		(S)-3-hydroxydecanoyl-CoA

reactome:R-ALL-77341
reactomeM:R-ALL-77341
CHEBI:28325
chebi:28325
HIVSMYZAMUNFKZ-PNPVFPMQSA-N 		(S)-3-hydroxydecanoyl-CoA
(S)-3-Hydroxydecanoyl-CoA
(S)-3-hydroxydecanoyl-coenzyme A
(S)-Hydroxydecanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
3-Hydroxydecanoyl-coenzyme A
3-OH 10:0-CoA
3-OH C10:0-CoA
S-(3-hydroxydecanoyl)coenzyme A
beta-hydroxydecanoyl coenzyme A
beta-hydroxydecanoyl-CoA
coenzyme A S-3-hydroxydecanoate
hmdb:HMDB0303998
HIVSMYZAMUNFKZ-PNPVFPMQSA-N 		(S)-3-hydroxydecanoyl-CoA
(S)-3-Hydroxydecanoyl-coenzyme A
(S)-3-hydroxydecanoyl-coa
(S)-Hydroxydecanoyl-CoA
3-Hydroxydecanoyl-CoA
3-Hydroxydecanoyl-coenzyme A
3-Hydroxydecanoyl-coenzyme A, (R)-isomer
3-OH 10:0-CoA
3-OH C10:0-CoA
S-(3-Hydroxydecanoyl)coenzyme A
b-Hydroxydecanoyl coenzyme A
b-Hydroxydecanoyl-CoA
beta-Hydroxydecanoyl coenzyme A
beta-Hydroxydecanoyl-CoA
beta-hydroxydecanoyl coenzyme A
beta-hydroxydecanoyl-CoA
coenzyme A S-3-Hydroxydecanoate
coenzyme A S-3-Hydroxydecanoic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

kegg.compound:C05264
keggC:C05264
HIVSMYZAMUNFKZ-PNPVFPMQSA-N 		(S)-Hydroxydecanoyl-CoA
(S)-3-Hydroxydecanoyl-CoA

seed.compound:cpd03118
seedM:cpd03118
HIVSMYZAMUNFKZ-PNPVFPMQSA-J 		(S)-Hydroxydecanoyl-CoA
(S)-3-Hydroxydecanoyl-CoA
(S)-3-hydroxydecanoyl-CoA
3hdccoa

lipidmaps:LMFA07050403
lipidmapsM:LMFA07050403
HIVSMYZAMUNFKZ-PNPVFPMQSA-N 		3S-hydroxydecanoyl-CoA
3S-hydroxy-decanoyl-CoA
CoA 10:0
O

chebi:18779
chebi:418
biggM:M_3hdcoa
keggC:M_C05264
seedM:M_cpd03118
vmhM:M_3hdcoa 		secondary/obsolete/fantasy identifier