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

PropertiesImage
MNX_IDMNXM1371538 Image of MNXM1371538
referencechebi:84492
formulaC37H53O3
global charge-1
mol weight545.828
InChIKeyLKMQQQABIGIHGL-LAAQXVIISA-M
InChIInChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/p-1/b29-15+,30-17+,31-19+,32-21+,33-23+
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=C1O
MNX internals
InChI (mnx)InChI=1/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+ Image of MNXM1371538
SMILES (mnx)[CH3:1][C:28]([CH3:2])=[CH:13][CH2:8][CH2:14]/[C:29]([CH3:3])=[CH:15]/[CH2:9][CH2:16]/[C:30]([CH3:4])=[CH:17]/[CH2:10][CH2:18]/[C:31]([CH3:5])=[CH:19]/[CH2:11][CH2:20]/[C:32]([CH3:6])=[CH:21]/[CH2:12][CH2:22]/[C:33]([CH3:7])=[CH:23]/[CH2:24][C:34]1=[C:36]([OH:38])[CH:26]=[CH:25][C:35]([C:37]([OH:39])=[O:40])=[CH:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84492
chebi:84492
LKMQQQABIGIHGL-LAAQXVIISA-M 		4-hydroxy-3-(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-hydroxybenzoate
4-hydroxy-3-all-trans-hexaprenylbenzoate

seed.compound:cpd09429
seedM:cpd09429
LKMQQQABIGIHGL-LAAQXVIISA-M 		3-Hexaprenyl-4-hydroxybenzoate
3-Hexaprenyl-4-hydroxybenzoic acid
3-Octaprenyl-4-hydroxybenzoate (5 repeating units)
3-hexaprenyl-4-hydroxybenzoate
3ophb_5

lipidmaps:LMPR02010045
lipidmapsM:LMPR02010045
LKMQQQABIGIHGL-LAAQXVIISA-N 		3-Hexaprenyl-4-hydroxybenzoic acid
hmdb:HMDB0006816
LKMQQQABIGIHGL-LAAQXVIISA-N 		3-Hexaprenyl-4-hydroxybenzoic acid
(all-e)-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoate
(all-e)-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid
3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-benzoate
3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-benzoic acid
3-Hexaprenyl-4-hydroxybenzoate
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxybenzoic acid
3-hexaprenyl-4-hydroxybenzoate
all-trans-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoate
all-trans-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid

CHEBI:31116
chebi:31116
LKMQQQABIGIHGL-LAAQXVIISA-N 		3-hexaprenyl-4-hydroxybenzoic acid
(all-E)-3-(3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid
3-Hexaprenyl-4-hydroxybenzoic acid
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxybenzoic acid
all-trans-3-(3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid

SLM:000598032
slm:000598032
LKMQQQABIGIHGL-LAAQXVIISA-M 		4-hydroxy-3-all-trans-hexaprenylbenzoate

metacyc.compound:3-HEXAPRENYL-4-HYDROXYBENZOATE
metacycM:3-HEXAPRENYL-4-HYDROXYBENZOATE
LKMQQQABIGIHGL-LAAQXVIISA-M 		4-hydroxy-3-hexaprenylbenzoate
3-hexaprenyl-4-hydroxybenzoate
4-hydroxy-3-all-trans-hexaprenylbenzoate

hmdb:HMDB06816
seedM:M_cpd09429 		secondary/obsolete/fantasy identifier