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3,4-dihydroxy-5-(all-trans-decaprenyl)benzoate

MNXM91405 is deprecated and here replaced by MNXM737269
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737269 Image of MNXM737269
referencechebi:62793
formulaC57H85O4
global charge-1
mol weight834.303
InChIKeyHGWUGDIATLOPBN-BHZQGFRMSA-M
InChIInChI=1S/C57H86O4/c1-43(2)21-12-22-44(3)23-13-24-45(4)25-14-26-46(5)27-15-28-47(6)29-16-30-48(7)31-17-32-49(8)33-18-34-50(9)35-19-36-51(10)37-20-38-52(11)39-40-53-41-54(57(60)61)42-55(58)56(53)59/h21,23,25,27,29,31,33,35,37,39,41-42,58-59H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,60,61)/p-1/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+
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(O)=C1O
MNX internals
InChI (mnx)InChI=1/C57H86O4/c1-43(2)21-12-22-44(3)23-13-24-45(4)25-14-26-46(5)27-15-28-47(6)29-16-30-48(7)31-17-32-49(8)33-18-34-50(9)35-19-36-51(10)37-20-38-52(11)39-40-53-41-54(57(60)61)42-55(58)56(53)59/h21,23,25,27,29,31,33,35,37,39,41-42,58-59H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,60,61)/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+ Image of MNXM737269
SMILES (mnx)[CH3:1][C:43]([CH3:2])=[CH:21][CH2:12][CH2:22]/[C:44]([CH3:3])=[CH:23]/[CH2:13][CH2:24]/[C:45]([CH3:4])=[CH:25]/[CH2:14][CH2:26]/[C:46]([CH3:5])=[CH:27]/[CH2:15][CH2:28]/[C:47]([CH3:6])=[CH:29]/[CH2:16][CH2:30]/[C:48]([CH3:7])=[CH:31]/[CH2:17][CH2:32]/[C:49]([CH3:8])=[CH:33]/[CH2:18][CH2:34]/[C:50]([CH3:9])=[CH:35]/[CH2:19][CH2:36]/[C:51]([CH3:10])=[CH:37]/[CH2:20][CH2:38]/[C:52]([CH3:11])=[CH:39]/[CH2:40][C:53]1=[CH:41][C:54]([C:57](=[O:60])[OH:61])=[CH:42][C:55]([OH:58])=[C:56]1[OH:59]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2162209
reactomeM:R-ALL-2162209
CHEBI:62793
chebi:62793
HGWUGDIATLOPBN-BHZQGFRMSA-M 		3,4-dihydroxy-5-(all-trans-decaprenyl)benzoate
3,4-dihydroxy-5-decaprenylbenzoate
3-(3,7,11,15,19,23,27,31,35,39-decamethyltetracosa-2,6,10,14,18,22,26,30,34,38-decaenyl)-4,5-dihydroxybenzoate
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34EE)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-4,5-dihydroxybenzoate
3-decaprenyl-4,5-dihydroxybenzoate
all-trans-3,4-dihydroxy-5-decaprenylbenzoate
all-trans-3-decaprenyl-4,5-dihydroxybenzoate

metacyc.compound:CPD-9895
metacycM:CPD-9895
seed.compound:cpd25894
seedM:cpd25894
HGWUGDIATLOPBN-BHZQGFRMSA-M 		3,4-dihydroxy-5-all-trans-decaprenylbenzoate
3-(3,7,11,15,19,23-decamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
3-decaprenyl-4,5-dihydroxybenzoate

bigg.metabolite:3dpdhb
biggM:3dpdhb
HGWUGDIATLOPBN-BHZQGFRMSA-M 		3-Decaprenyl-4,5-dihdydroxybenzoate

vmhM:3dpdhb
vmhmetabolite:3dpdhb
HGWUGDIATLOPBN-BHZQGFRMSA-M 		3-Decaprenyl-4,5-dihdydroxybenzoate
3-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-4,5-dihydroxybenzoic acid
hmdb:HMDB0060249
HGWUGDIATLOPBN-BHZQGFRMSA-N 		3-Decaprenyl-4,5-dihydroxybenzoate
3,4-Dihydroxy-5-decaprenylbenzoate
3,4-Dihydroxy-5-decaprenylbenzoic acid
3-(3,7,11,15,19,23,27,31,35,39-Decamethyltetracosa-2,6,10,14,18,22,26,30,34,38-decaenyl)-4,5-dihydroxybenzoate
3-(3,7,11,15,19,23,27,31,35,39-Decamethyltetracosa-2,6,10,14,18,22,26,30,34,38-decaenyl)-4,5-dihydroxybenzoic acid
3-Decaprenyl-4,5-dihydroxybenzoic acid
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]-4,5-dihydroxybenzoic acid
all-trans-3,4-Dihydroxy-5-decaprenylbenzoate
all-trans-3,4-Dihydroxy-5-decaprenylbenzoic acid
all-trans-3-Decaprenyl-4,5-dihydroxybenzoate
all-trans-3-Decaprenyl-4,5-dihydroxybenzoic acid

CHEBI:50775
chebi:50775
HGWUGDIATLOPBN-BHZQGFRMSA-N 		3-decaprenyl-4,5-dihydroxybenzoic acid
3,4-dihydroxy-5-decaprenylbenzoic acid
3-(3,7,11,15,19,23,27,31,35,39-decamethyltetracosa-2,6,10,14,18,22,26,30,34,38-decaenyl)-4,5-dihydroxybenzoic acid
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]-4,5-dihydroxybenzoic acid
all-trans-3,4-dihydroxy-5-decaprenylbenzoic acid
all-trans-3-decaprenyl-4,5-dihydroxybenzoic acid

lipidmaps:LMPR02010034
lipidmapsM:LMPR02010034
HGWUGDIATLOPBN-BHZQGFRMSA-N 		3-decaprenyl-4,5-dihydroxybenzoic acid
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]-4,5-dihydroxybenzoic acid

hmdb:HMDB60249
biggM:M_3dpdhb
seedM:M_cpd25894
vmhM:M_3dpdhb 		secondary/obsolete/fantasy identifier