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2-Hydroxyphytanoyl-CoA

MNXM91909 is deprecated and here replaced by MNXM1104772
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104772 Image of MNXM1104772
referencekeggC:C07343
formulaC41H74N7O18P3S
global charge0
mol weight1078.063
InChIKeyWNVFJMYPVBOLKV-KUUVZDDLSA-N
InChIInChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35+,39-/m1/s1
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(O)C(=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/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t26-,27-,28+,29-,32?,33-,34-,35+,39-/m1/s1 Image of MNXM1104772
SMILES (mnx)[CH3:1][CH:25]([CH3:2])[CH2:11][CH2:8][CH2:12][C@@H:26]([CH3:3])[CH2:13][CH2:9][CH2:14][C@@H:27]([CH3:4])[CH2:15][CH2:10][CH2:16][C@H:28]([CH3:5])[CH:32]([C:40](=[O:54])[S:70][CH2:20][CH2:19][N:43]=[C:30]([CH2:17][CH2:18][N:44]=[C:38]([C@@H:35]([C:41]([CH3:6])([CH3:7])[CH2:22][O:63][P:69]([OH:60])(=[O:61])[O:66][P:68]([OH:58])(=[O:59])[O:62][CH2:21][C@@H:29]1[C@@H:34]([O:65][P:67]([OH:55])([OH:56])=[O:57])[C@@H:33]([OH:51])[C@H:39]([N:48]2[CH:24]=[N:47][C:31]3=[C:36]([NH2:42])[N:45]=[CH:23][N:46]=[C:37]32)[O:64]1)[OH:52])[OH:53])[OH:49])[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:phyt2ohcoa
biggM:phyt2ohcoa
kegg.compound:C07343
keggC:C07343
WNVFJMYPVBOLKV-KUUVZDDLSA-N
WNVFJMYPVBOLKV-YLNUKALLSA-J 		2-Hydroxyphytanoyl-CoA
hmdb:HMDB0001295
WNVFJMYPVBOLKV-PJDIVXIPSA-N 		2-Hydroxyphytanoyl-CoA
(3S)-2-Hydroxyphytanoyl-CoA
(3S)-2-Hydroxyphytanoyl-coenzyme A
(3S,7R,11R)-2-Hydroxy-3,7,11,15-tetramethylhexadecanoyl-CoA
(3S,7R,11R)-2-Hydroxy-3,7,11,15-tetramethylhexadecanoyl-coenzyme A
2-Hydroxyphytanoyl-coenzyme A
3(S)-2-Hydroxyphytanoyl-CoA
3(S)-2-Hydroxyphytanoyl-coenzyme A
3S2hPhy-CoA
3S2hPhy-coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-3-({2-[(2-{[(3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

seed.compound:cpd04546
seedM:cpd04546
WNVFJMYPVBOLKV-YLNUKALLSA-J 		2-Hydroxyphytanoyl-CoA
2-hydroxyphytanoyl-CoA

lipidmaps:LMFA07050185
lipidmapsM:LMFA07050185
WNVFJMYPVBOLKV-KUUVZDDLSA-N 		2-Hydroxyphytanoyl-CoA
CoA 20:0
O
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S,7R,11R)-2-hydroxy-3,7,11,15-tetramethylhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

metacyc.compound:2-HYDROXYPHYTANOYL-COA
metacycM:2-HYDROXYPHYTANOYL-COA
SLM:000389932
slm:000389932
WNVFJMYPVBOLKV-YLNUKALLSA-J 		2-hydroxyphytanoyl-CoA

vmhM:phyt2ohcoa
vmhmetabolite:phyt2ohcoa
WNVFJMYPVBOLKV-YLNUKALLSA-J 		2-hydroxyphytanoyl-CoA(4-)
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

reactome:R-ALL-389594
reactomeM:R-ALL-389594
CHEBI:15475
chebi:15475
WNVFJMYPVBOLKV-YLNUKALLSA-N 		2-hydroxyphytanoyl-CoA
2-Hydroxyphytanoyl-CoA
2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-CoA
2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-coenzyme A
2-hydroxyphytanoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-3,7,11,15-tetramethylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
alpha-hydroxy-3,7,11,15-tetramethylhexadecanoyl-CoA
alpha-hydroxy-3,7,11,15-tetramethylhexadecanoyl-coenzyme A
alpha-hydroxyphytanoyl-CoA
alpha-hydroxyphytanoyl-coenzyme A

CHEBI:57334
chebi:57334
WNVFJMYPVBOLKV-YLNUKALLSA-J 		2-hydroxyphytanoyl-CoA
2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-CoA(4-)
2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-coenzyme A(4-)
2-hydroxyphytanoyl-CoA(4-)
2-hydroxyphytanoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-3,7,11,15-tetramethylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
alpha-hydroxyphytanoyl-CoA(4-)

vmhM:CE5123
vmhmetabolite:CE5123
WNVFJMYPVBOLKV-PJDIVXIPSA-J 		3(S)-2-hydroxyphytanoyl-CoA
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

hmdb:HMDB01295
chebi:11600
chebi:1170
chebi:19657
biggM:M_phyt2ohcoa
keggC:M_C07343
seedM:M_cpd04546
vmhM:M_CE5123
vmhM:M_phyt2ohcoa 		secondary/obsolete/fantasy identifier