Structure Database (LMSD)

Common Name
Dolichyl-19 phosphate
Systematic Name
a-dihydrononadecaprenyl phosphate
Synonyms
LM ID
LMPR03080001
Formula
Exact Mass
Calculate m/z
1393.181948
Status
Active

Classification

String Representations

InChiKey (Click to copy)
CARWNZMMHHJJQO-HMARKXMOSA-N
InChi (Click to copy)
InChI=1S/C95H157O4P/c1-77(2)39-21-40-78(3)41-22-42-79(4)43-23-44-80(5)45-24-46-81(6)47-25-48-82(7)49-26-50-83(8)51-27-52-84(9)53-28-54-85(10)55-29-56-86(11)57-30-58-87(12)59-31-60-88(13)61-32-62-89(14)63-33-64-90(15)65-34-66-91(16)67-35-68-92(17)69-36-70-93(18)71-37-72-94(19)73-38-74-95(20)75-76-99-100(96,97)98/h39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,95H,21-38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74-76H2,1-20H3,(H2,96,97,98)/b78-41+,79-43+,80-45-,81-47-,82-49-,83-51-,84-53-,85-55-,86-57-,87-59-,88-61-,89-63-,90-65-,91-67-,92-69-,93-71-,94-73-/t95-/m0/s1
SMILES (Click to copy)
C(C/C=C(/CC/C=C(\C)/CC/C=C(\C)/C)\C)/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\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC/C(/C)=C\CC[C@H](C)CCOP(=O)(O)O

Other Databases

LIPIDBANK ID
IIP0069
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 100
Rings 0
Aromatic Rings 0
Rotatable Bonds 58
Van der Waals Molecular Volume 1659.53
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 32.84
Molar Refractivity 451.50

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Updated at
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