Search MNXref
 Feedback

(3R)-hydroxyeicosanoyl-CoA

PropertiesImage
MNX_IDMNXM1363909 Image of MNXM1363909
referencechebi:76373
formulaC41H70N7O18P3S
global charge-4
mol weight1074.031
InChIKeyKNSVYMFEJLUJST-AFMYZWIISA-J
InChIInChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t29-,30-,34-,35-,36+,40-/m1/s1
SMILESCCCCCCCCCCCCCCCCC[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/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t29-,30-,34-,35-,36+,40-/m1/s1 Image of MNXM1363909
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C@H:29]([CH2:24][C:32](=[O:51])[S:70][CH2:23][CH2:22][N:43]=[C:31]([CH2:20][CH2:21][N:44]=[C:39]([C@@H:36]([C:41]([CH3:2])([CH3:3])[CH2:26][O:63][P:69]([OH:60])(=[O:61])[O:66][P:68]([OH:58])(=[O:59])[O:62][CH2:25][C@@H:30]1[C@@H:35]([O:65][P:67]([OH:55])([OH:56])=[O:57])[C@@H:34]([OH:52])[C@H:40]([N:48]2[CH:28]=[N:47][C:33]3=[C:37]([NH2:42])[N:45]=[CH:27][N:46]=[C:38]32)[O:64]1)[OH:53])[OH:54])[OH:50])[OH:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76373
chebi:76373
KNSVYMFEJLUJST-AFMYZWIISA-J 		(3R)-hydroxyeicosanoyl-CoA
(R)-3-OH-C20:0-CoA(4-)
(R)-3-hydroxyeicosanoyl-CoA
(R)-3-hydroxyeicosanoyl-coenzyme A(4-)
(R)-3-hydroxyicosanoyl-CoA(4-)
(R)-3-hydroxyicosanoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyicosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

seed.compound:cpd24266
seedM:cpd24266
KNSVYMFEJLUJST-AFMYZWIISA-J 		(3R)-3-hydroxy-arachidoyl-CoA

metacyc.compound:CPD-14275
metacycM:CPD-14275
KNSVYMFEJLUJST-AFMYZWIISA-J 		(3R)-3-hydroxy-arachidoyl-CoA
(3R)-hydroxyeicosanoyl-CoA
(R)-3-OH-C20:0-CoA(4-)
(R)-3-hydroxyeicosanoyl-CoA
(R)-3-hydroxyeicosanoyl-coenzyme A(4-)
(R)-3-hydroxyicosanoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyicosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

SLM:000389400
slm:000389400
KNSVYMFEJLUJST-AFMYZWIISA-J 		(3R)-hydroxyeicosanoyl-CoA

CHEBI:76453
chebi:76453
KNSVYMFEJLUJST-AFMYZWIISA-N 		(R)-3-hydroxyicosanoyl-CoA
(R)-3-hydroxyeicosanoyl-CoA
(R)-3-hydroxyeicosanoyl-coenzyme A
(R)-3-hydroxyicosanoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyicosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
hmdb:HMDB0060191
KNSVYMFEJLUJST-AFMYZWIISA-N 		3-Hydroxyeicosanoyl-CoA
(2R)-4-({[({[(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)-2-hydroxy-N-{2-[(2-{[(3R)-3-hydroxyicosanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid
(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-N-{2-[(2-{[(3R)-3-hydroxyicosanoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-3,3-dimethylbutanimidic acid
(R)-3-Hydroxyeicosanoyl-CoA
(R)-3-Hydroxyeicosanoyl-coenzyme A
(R)-3-Hydroxyicosanoyl-coenzyme A

hmdb:HMDB60191
seedM:M_cpd24266 		secondary/obsolete/fantasy identifier