LIPID MAPS

Structure Database (LMSD)

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Common Name

Manbeta1-4GlcNAcbeta1-4GlcNAc-PP-Dol-20

Systematic Name

β-D-mannosyldiacetylchitobiosyldiphosphodolichol-20

Synonyms

LM ID

LMPR03090024

Formula

C₁₂₂H₂₀₂N₂O₂₂P₂

Exact Mass

Calculate m/z

2109.422454

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

String Representations

InChiKey (Click to copy)

DIUBVDNAHFKZAP-BECIKNONSA-N

InChi (Click to copy)

InChI=1S/C122H202N2O22P2/c1-86(2)43-24-44-87(3)45-25-46-88(4)47-26-48-89(5)49-27-50-90(6)51-28-52-91(7)53-29-54-92(8)55-30-56-93(9)57-31-58-94(10)59-32-60-95(11)61-33-62-96(12)63-34-64-97(13)65-35-66-98(14)67-36-68-99(15)69-37-70-100(16)71-38-72-101(17)73-39-74-102(18)75-40-76-103(19)77-41-78-104(20)79-42-80-105(21)81-82-139-147(135,136)146-148(137,138)145-121-112(124-107(23)129)115(132)118(110(85-127)142-121)143-120-111(123-106(22)128)114(131)119(109(84-126)141-120)144-122-117(134)116(133)113(130)108(83-125)140-122/h43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,105,108-122,125-127,130-134H,24-42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80-85H2,1-23H3,(H,123,128)(H,124,129)(H,135,136)(H,137,138)/b87-45+,88-47+,89-49-,90-51-,91-53-,92-55-,93-57-,94-59-,95-61-,96-63-,97-65-,98-67-,99-69-,100-71-,101-73-,102-75-,103-77-,104-79-/t105-,108+,109+,110+,111+,112+,113+,114+,115+,116-,117-,118+,119+,120-,121-,122-/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(/C)=C\CC[C@H](C)CCOP(O)(=O)OP(O[C@H]1[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@H]2[C@H](NC(=O)C)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](CO)O2)[C@@H](CO)O1)(O)=O