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presqualene diphosphate

PropertiesImage
MNX_IDMNXM738581 Image of MNXM738581
referencechebi:57310
formulaC30H49O7P2
global charge-3
mol weight583.663
InChIKeyATZKAUGGNMSCCY-VYCBRMPGSA-K
InChIInChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/p-3/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H]1[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CC/C=C(\C)CCC=C(C)C
MNX internals
InChI (mnx)InChI=1/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1 Image of MNXM738581
SMILES (mnx)[CH3:1][C:23]([CH3:2])=[CH:13][CH2:9][CH2:15]/[C:25]([CH3:5])=[CH:17]/[CH2:11][CH2:18]/[C:27]([CH3:7])=[CH:21]/[C@H:28]1[C@H:29]([CH2:22][O:36][P:39]([OH:34])(=[O:35])[O:37][P:38]([OH:31])([OH:32])=[O:33])[C@@:30]1([CH3:8])[CH2:20][CH2:12]/[CH:19]=[C:26](\[CH3:6])[CH2:16][CH2:10][CH:14]=[C:24]([CH3:3])[CH3:4]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57310
chebi:57310
ATZKAUGGNMSCCY-VYCBRMPGSA-K 		presqualene diphosphate
presqualene diphosphate(3-)
{(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl diphosphate

bigg.metabolite:HC01118
biggM:HC01118
ATZKAUGGNMSCCY-VYCBRMPGSA-K 		Presqualene Diphosphate

sabiork.compound:1747
sabiorkM:1747
ATZKAUGGNMSCCY-VYCBRMPGSA-N 		Presqualene diphosphate
hmdb:HMDB0001278
ATZKAUGGNMSCCY-VYCBRMPGSA-N 		Presqualene diphosphate
(1alpha,2beta(e),3beta(1E,5E))-Diphosphoric acid mono((2-(4,8-dimethyl-3,7-nonadienyl)-2-methyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopropyl)methyl) ester
Presqualene diphosphoric acid
Presqualene pyrophosphate
[(1R,2R,3R)-2-[(e)-4,8-Dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate
[(1R,2R,3R)-2-[(e)-4,8-Dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphoric acid
[(1S,2S,3S)-2-[(e)-4,8-Dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate
[(1S,2S,3S)-2-[(e)-4,8-Dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphoric acid
[({[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
presqualene diphosphate

SLM:000000308
slm:000000308
ATZKAUGGNMSCCY-FGDGKLGSSA-K 		presqualene diphosphate

vmhM:HC01118
vmhmetabolite:HC01118
ATZKAUGGNMSCCY-VYCBRMPGSA-K 		presqualene diphosphate(3-)
[({[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

reactome:R-ALL-191265
reactomeM:R-ALL-191265
CHEBI:15442
chebi:15442
ATZKAUGGNMSCCY-VYCBRMPGSA-N 		presqualene diphosphate
Presqualene diphosphate
[(1S,2S,3S)-2-[(E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate
{(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl trihydrogen diphosphate

hmdb:HMDB01278
chebi:14886
chebi:26261
chebi:8401
biggM:M_HC01118
vmhM:M_HC01118 		secondary/obsolete/fantasy identifier