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CHEBI:166691 - Dodecaprenyl phosphate-galacturonic acid

ChEBI IDCHEBI:166691
ChEBI NameDodecaprenyl phosphate-galacturonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC66H107O10P
Net Charge0
Average Mass1091.546
Monoisotopic Mass1090.76019
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\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)O[C@@H]1OC(C(=O)O)[C@H](O)C(O)C1O
InChIInChI=1S/C66H107O10P/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-74-77(72,73)76-66-63(69)61(67)62(68)64(75-66)65(70)71/h25,27,29,31,33,35,37,39,41,43,45,47,61-64,66-69H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3,(H,70,71)(H,72,73)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61?,62-,63?,64?,66+/m1/s1
InChIKeyKNRKMSRCMYRVRK-UPDNUGROSA-N
ChEBI Ontology
Outgoing Relation(s)
Dodecaprenyl phosphate-galacturonic acid (CHEBI:166691) is a polyprenyl phospho carbohydrate (CHEBI:26187)
IUPAC Name 
(3R,6S)-6-[[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaenoxy]-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
24823166ChemSpider
LMPR03020004LIPID MAPS