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(3R)-hydroxytetracosanoyl-CoA

PropertiesImage
MNX_IDMNXM734899 Image of MNXM734899
referencechebi:76377
formulaC45H78N7O18P3S
global charge-4
mol weight1130.139
InChIKeyQIBKBVRVOFIKLN-YSOWJFSKSA-J
InChIInChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t33-,34-,38-,39-,40+,44-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCC[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/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33-,34-,38-,39-,40+,44-/m1/s1 Image of MNXM734899
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][CH2:20][CH2:21][CH2:22][CH2:23][C@H:33]([CH2:28][C:36](=[O:55])[S:74][CH2:27][CH2:26][N:47]=[C:35]([CH2:24][CH2:25][N:48]=[C:43]([C@@H:40]([C:45]([CH3:2])([CH3:3])[CH2:30][O:67][P:73]([OH:64])(=[O:65])[O:70][P:72]([OH:62])(=[O:63])[O:66][CH2:29][C@@H:34]1[C@@H:39]([O:69][P:71]([OH:59])([OH:60])=[O:61])[C@@H:38]([OH:56])[C@H:44]([N:52]2[CH:32]=[N:51][C:37]3=[C:41]([NH2:46])[N:49]=[CH:31][N:50]=[C:42]32)[O:68]1)[OH:57])[OH:58])[OH:54])[OH:53]
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:76377
chebi:76377
QIBKBVRVOFIKLN-YSOWJFSKSA-J 		(3R)-hydroxytetracosanoyl-CoA
(3R)-3-hydroxytetracosanoyl-CoA(4-)
(R)-3-OH-C24:0-CoA(4-)
(R)-3-hydroxylignoceroyl-CoA(4-)
(R)-3-hydroxylignoceroyl-coenzyme A(4-)
(R)-3-hydroxytetracosanoyl-CoA(4-)
(R)-3-hydroxytetracosanoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxytetracosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

seed.compound:cpd24268
seedM:cpd24268
QIBKBVRVOFIKLN-YSOWJFSKSA-J 		(3R)-3-hydroxy-lignoceroyl-CoA

metacyc.compound:CPD-14277
metacycM:CPD-14277
QIBKBVRVOFIKLN-YSOWJFSKSA-J 		(3R)-3-hydroxylignoceroyl-CoA

CHEBI:76463
chebi:76463
QIBKBVRVOFIKLN-YSOWJFSKSA-N 		(3R)-3-hydroxytetracosanoyl-CoA
(3R)-3-hydroxylignoceroyl-CoA
(R)-3-hydroxylignoceroyl-CoA
(R)-3-hydroxylignoceroyl-coenzyme A
(R)-3-hydroxytetracosanoyl-CoA
(R)-3-hydroxytetracosanoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxytetracosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

SLM:000389404
slm:000389404
QIBKBVRVOFIKLN-YSOWJFSKSA-J 		(3R)-hydroxytetracosanoyl-CoA
hmdb:HMDB0060240
QIBKBVRVOFIKLN-YSOWJFSKSA-N 		3-Hydroxytetracosanoyl-CoA
(3R)-3-Hydroxylignoceroyl-CoA
(R)-3-Hydroxylignoceroyl-CoA
(R)-3-Hydroxylignoceroyl-coenzyme A
(R)-3-Hydroxytetracosanoyl-CoA
(R)-3-Hydroxytetracosanoyl-coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy((3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxytetracosanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxytetracosanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

hmdb:HMDB60240
seedM:M_cpd24268 		secondary/obsolete/fantasy identifier