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Decaprenol phosphate

PropertiesImage
MNX_IDMNXM1371454 Image of MNXM1371454
referencekeggC:C02970
formulaC50H83O4P
global charge0
mol weight779.184
InChIKeyXBEJBEIXLWRYBT-DJNGBRKISA-N
InChIInChI=1S/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39-
SMILESCC(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\COP(=O)(O)O
MNX internals
InChI (mnx)InChI=1/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H2,51,52,53)/b42-23+,43-25-,44-27-,45-29-,46-31-,47-33-,48-35-,49-37-,50-39- Image of MNXM1371454
SMILES (mnx)[CH3:1][C:41]([CH3:2])=[CH:21][CH2:12][CH2:22]/[C:42]([CH3:3])=[CH:23]/[CH2:13][CH2:24]/[C:43]([CH3:4])=[CH:25]\[CH2:14][CH2:26]/[C:44]([CH3:5])=[CH:27]\[CH2:15][CH2:28]/[C:45]([CH3:6])=[CH:29]\[CH2:16][CH2:30]/[C:46]([CH3:7])=[CH:31]\[CH2:17][CH2:32]/[C:47]([CH3:8])=[CH:33]\[CH2:18][CH2:34]/[C:48]([CH3:9])=[CH:35]\[CH2:19][CH2:36]/[C:49]([CH3:10])=[CH:37]\[CH2:20][CH2:38]/[C:50]([CH3:11])=[CH:39]\[CH2:40][O:54][P:55]([OH:51])([OH:52])=[O:53]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C02970
keggC:C02970
XBEJBEIXLWRYBT-DJNGBRKISA-N
Decaprenol phosphate
mono-trans, poly-cis-Decaprenyl phosphate
trans,octacis-Decaprenyl phosphate

keggC:M_C02970
secondary/obsolete/fantasy identifier