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4-hydroxy-3-all-trans-decaprenylbenzoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM733937

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	3

formula

C₅₇H₈₅O₃

charge

-1

mass

817.65042

reference

chebi:84503

InChIKey

CMPNJZREBHCPHN-LTNIBBDRSA-M

InChI

InChI=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+

SMILES

CC(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/Cc1cc(C(=O)[O-])ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84503 chebi:84503	4-hydroxy-3-all-trans-decaprenylbenzoate 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
bigg.metabolite:3ophb_5 biggM:3ophb_5	3 Hexaprenyl 4 hydroxybenzoate
bigg.metabolite:3dphb biggM:3dphb	3-Decaprenyl-4-hydroxybenzoate
hmdb:HMDB0006251	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	3-decaprenyl-4-hydroxybenzoate
reactome:R-ALL-2162207 reactomeM:R-ALL-2162207 CHEBI:64136 chebi:64136	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	4-hydroxy-3-decaprenylbenzoate 3-decaprenyl-4-hydroxybenzoate
hmdb:HMDB06251 biggM:M_3dphb biggM:M_3ophb_5 seedM:M_cpd25880	secondary/obsolete/fantasy identifier