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4-hydroxy-3-(all-trans-decaprenyl)benzoate

PropertiesImage
MNX_IDMNXM733937 Image of MNXM733937
referencechebi:84503
formulaC57H85O3
global charge-1
mol weight818.304
InChIKeyCMPNJZREBHCPHN-LTNIBBDRSA-M
InChIInChI=1S/C57H86O3/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-40-54-43-55(57(59)60)41-42-56(54)58/h21,23,25,27,29,31,33,35,37,39,41-43,58H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,59,60)/p-1/b45-23+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(C(=O)[O-])=CC=C1O
MNX internals
InChI (mnx)InChI=1/C57H86O3/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-40-54-43-55(57(59)60)41-42-56(54)58/h21,23,25,27,29,31,33,35,37,39,41-43,58H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,59,60)/b45-23+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+ Image of MNXM733937
SMILES (mnx)[CH3:1][C:44]([CH3:2])=[CH:21][CH2:12][CH2:22]/[C:45]([CH3:3])=[CH:23]/[CH2:13][CH2:24]/[C:46]([CH3:4])=[CH:25]/[CH2:14][CH2:26]/[C:47]([CH3:5])=[CH:27]/[CH2:15][CH2:28]/[C:48]([CH3:6])=[CH:29]/[CH2:16][CH2:30]/[C:49]([CH3:7])=[CH:31]/[CH2:17][CH2:32]/[C:50]([CH3:8])=[CH:33]/[CH2:18][CH2:34]/[C:51]([CH3:9])=[CH:35]/[CH2:19][CH2:36]/[C:52]([CH3:10])=[CH:37]/[CH2:20][CH2:38]/[C:53]([CH3:11])=[CH:39]/[CH2:40][C:54]1=[C:56]([OH:58])[CH:42]=[CH:41][C:55]([C:57]([OH:59])=[O:60])=[CH:43]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2162207
reactomeM:R-ALL-2162207
CHEBI:84503
chebi:84503
CMPNJZREBHCPHN-LTNIBBDRSA-M 		4-hydroxy-3-(all-trans-decaprenyl)benzoate
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxybenzoate
4-hydroxy-3-all-trans-decaprenylbenzoate

bigg.metabolite:3ophb_5
biggM:3ophb_5 		3 Hexaprenyl 4 hydroxybenzoate

bigg.metabolite:3dphb
biggM:3dphb
CMPNJZREBHCPHN-LTNIBBDRSA-M 		3-Decaprenyl-4-hydroxybenzoate
hmdb:HMDB0006251
CMPNJZREBHCPHN-LTNIBBDRSA-N 		3-Decaprenyl-4-hydroxybenzoic acid
3-Decaprenyl-4-hydroxybenzoate
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxybenzoic acid
4-Hydroxy-3-all-trans-decaprenylbenzoate
PPHB-10
pphb-10

seed.compound:cpd25880
seedM:cpd25880
CMPNJZREBHCPHN-LTNIBBDRSA-M 		3-decaprenyl-4-hydroxybenzoate

SLM:000598030
slm:000598030
CMPNJZREBHCPHN-LTNIBBDRSA-M 		4-hydroxy-3-all-trans-decaprenylbenzoate

CHEBI:64136
chebi:64136
CMPNJZREBHCPHN-LTNIBBDRSA-N 		4-hydroxy-3-all-trans-decaprenylbenzoic acid
3-Decaprenyl-4-hydroxybenzoate
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4-hydroxybenzoic acid
3-decaprenyl-4-hydroxybenzoic acid
Pphb-10

metacyc.compound:CPD-9864
metacycM:CPD-9864
CMPNJZREBHCPHN-LTNIBBDRSA-M 		4-hydroxy-3-decaprenylbenzoate
3-decaprenyl-4-hydroxybenzoate

hmdb:HMDB06251
biggM:M_3dphb
biggM:M_3ophb_5
seedM:M_cpd25880 		secondary/obsolete/fantasy identifier