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terpentedienyl diphosphate

PropertiesImage
MNX_IDMNXM2736 Image of MNXM2736
referencechebi:58821
formulaC20H33O7P2
global charge-3
mol weight447.425
InChIKeyLKJRXYMJDDAXEN-LENLPTBCSA-K
InChIInChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b15-11+/t17-,18+,19-,20-/m1/s1
SMILESCC1=CCC[C@H]2[C@](C)(CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@H](C)CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)9-12-19(4)17(3)10-13-20(5)16(2)7-6-8-18(19)20/h7,11,17-18H,6,8-10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t17-,18+,19-,20-/m1/s1 Image of MNXM2736
SMILES (mnx)[CH3:1]/[C:15]([CH2:9][CH2:12][C@:19]1([CH3:4])[C@H:17]([CH3:3])[CH2:10][CH2:13][C@:20]2([CH3:5])[C:16]([CH3:2])=[CH:7][CH2:6][CH2:8][C@@H:18]12)=[CH:11]\[CH2:14][O:26][P:29]([OH:24])(=[O:25])[O:27][P:28]([OH:21])([OH:22])=[O:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58821
chebi:58821
LKJRXYMJDDAXEN-LENLPTBCSA-K 		terpentedienyl diphosphate
(2E)-3-methyl-5-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
(2E)-5-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl (phosphonatooxy)phosphonate
terpentedienyl diphosphate(3-)

kegg.compound:C19815
keggC:C19815
LKJRXYMJDDAXEN-LENLPTBCSA-N 		Terpentedienyl diphosphate

seed.compound:cpd21058
seedM:cpd21058
LKJRXYMJDDAXEN-LENLPTBCSA-L 		Terpentedienyl diphosphate
(2E)-3-methyl-5-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate
terpentedienyl diphosphate

metacyc.compound:CPD-10113
metacycM:CPD-10113
LKJRXYMJDDAXEN-LENLPTBCSA-K 		terpentedienyl diphosphate
(2E)-3-methyl-5-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate

CHEBI:50303
chebi:50303
lipidmaps:LMPR0104040003
lipidmapsM:LMPR0104040003
LKJRXYMJDDAXEN-LENLPTBCSA-N 		terpentedienyl diphosphate
(2E)-3-methyl-5-[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate

keggC:M_C19815
seedM:M_cpd21058 		secondary/obsolete/fantasy identifier