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

PropertiesImage
MNX_IDMNXM2783 Image of MNXM2783
referencechebi:58373
formulaC37H53O4
global charge-1
mol weight561.827
InChIKeyVEPICJBQCOUQPI-IRVXXIIISA-M
InChIInChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/p-1/b28-15+,29-17+,30-19+,31-21+,32-23+
SMILESCC(C)=CCC/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/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+ Image of MNXM2783
SMILES (mnx)[CH3:1][C:27]([CH3:2])=[CH:13][CH2:8][CH2:14]/[C:28]([CH3:3])=[CH:15]/[CH2:9][CH2:16]/[C:29]([CH3:4])=[CH:17]/[CH2:10][CH2:18]/[C:30]([CH3:5])=[CH:19]/[CH2:11][CH2:20]/[C:31]([CH3:6])=[CH:21]/[CH2:12][CH2:22]/[C:32]([CH3:7])=[CH:23]/[CH2:24][C:33]1=[CH:25][C:34]([C:37](=[O:40])[OH:41])=[CH:26][C:35]([OH:38])=[C:36]1[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58373
chebi:58373
VEPICJBQCOUQPI-IRVXXIIISA-M 		3,4-dihydroxy-5-(all-trans-hexaprenyl)benzoate
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoate
3-hexaprenyl-4,5-dihydroxybenzoate
3-hexaprenyl-4,5-dihydroxybenzoate anion
3-hexaprenyl-4,5-dihydroxybenzoate(1-)

bigg.metabolite:3dh5hpb
biggM:3dh5hpb 		3 Hexaprenyl 4 5 dihydroxybenzoate
hmdb:HMDB0304100
VEPICJBQCOUQPI-IRVXXIIISA-M 		3,4-dihydroxy-5-all-trans-hexaprenylbenzoate
3,4-Dihydroxy-5-all-trans-hexaprenylbenzoate
3,4-Dihydroxy-5-all-trans-hexaprenylbenzoic acid
3-Hexaprenyl-4,5-dihydroxybenzoate anion
3-Hexaprenyl-4,5-dihydroxybenzoate(1-)
3-Hexaprenyl-4,5-dihydroxybenzoic acid
3-Hexaprenyl-4,5-dihydroxybenzoic acid anion
3-Hexaprenyl-4,5-dihydroxybenzoic acid(1-)
5-carboxy-3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-2-hydroxybenzen-1-olate
5-carboxy-3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-2-hydroxybenzenolate
hmdb:HMDB0001063
VEPICJBQCOUQPI-IRVXXIIISA-N 		3-Hexaprenyl-4,5-Dihydroxybenzoic acid
3,4-Dihydroxy-5-hexaprenylbenzoate
3,4-Dihydroxy-5-hexaprenylbenzoic acid
3-Hexaprenyl-4,5-dihydroxybenzoate
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid
Dhhpba
dhhpba

kegg.compound:C05200
keggC:C05200
VEPICJBQCOUQPI-IRVXXIIISA-N 		3-Hexaprenyl-4,5-dihydroxybenzoate

seed.compound:cpd03092
seedM:cpd03092
VEPICJBQCOUQPI-IRVXXIIISA-M 		3-Hexaprenyl-4,5-dihydroxybenzoate
3,4-dihydroxy-5-all-trans-hexaprenylbenzoate
3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
3-hexaprenyl-4,5-dihydroxybenzoate
3dh5hpb

metacyc.compound:CPD-21768
metacycM:CPD-21768
VEPICJBQCOUQPI-IRVXXIIISA-M 		3-all trans-hexaprenyl-4,5-dihydroxybenzoate
3,4-dihydroxy-5-all-trans-hexaprenylbenzoate
3-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
3-hexaprenyl-4,5-dihydroxybenzoate
3-hexaprenyl-4-,5-dihydroxybenzoic acid

CHEBI:18081
chebi:18081
VEPICJBQCOUQPI-IRVXXIIISA-N 		3-hexaprenyl-4,5-dihydroxybenzoic acid
3-Hexaprenyl-4,5-dihydroxybenzoate
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid

lipidmaps:LMPR02010043
lipidmapsM:LMPR02010043
VEPICJBQCOUQPI-IRVXXIIISA-N 		LMPR02010043
3-Hexaprenyl-4,5-dihydroxybenzoic acid

hmdb:HMDB01063
chebi:11798
chebi:1509
chebi:20027
biggM:M_3dh5hpb
keggC:M_C05200
seedM:M_cpd03092 		secondary/obsolete/fantasy identifier