Lauroyl-KDO2-lipid IV(A)
Molecular Formula:
C96H176N2O38P2
InChI: InChI=1/C96H176N2O38P2/c1-6-11-16-21-26-31-36-41-46-51-66(101)56-76(107)97-81-89(130-79(110)57-67(102)52-47-42-37-32-27-22-17-12-7-2)85(114)74(128-92(81)136-138(122,123)124)64-125-91-82(98-77(108)59-69(54-49-44-39-34-29-24-19-14-9-4)127-78(109)55-50-45-40-35-30-25-20-15-10-5)90(131-80(111)58-68(103)53-48-43-38-33-28-23-18-13-8-3)88(135-137(119,120)121)75(129-91)65-126-95(93(115)116)61-73(84(113)87(133-95)72(106)63-100)132-96(94(117)118)60-70(104)83(112)86(134-96)71(105)62-99/h66-75,81-92,99-106,112-114H,6-65H2,1-5H3,(H,97,107)(H,98,108)(H,115,116)(H,117,118)(H2,119,120,121)(H2,122,123,124)/t66?,67?,68?,69?,70-,71-,72-,73-,74-,75-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-/m1/s1/f/h97-98,115,117,119-120,122-123H
InChIKey: InChIKey=JVUUYJGQIVCMIU-BOMULNACDZ
SMILES: CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)O)OC4(CC(C(C(O4)C(CO)O)O)O)C(=O)O)C(=O)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O
Names:
C06251
Lauroyl-KDO2-lipid IV(A)
(2R,4R,5S,6R)-4-[(2S,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-oxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-2-[[(2R,3R,4R,5R,6R)-5-(3-dodecanoyloxytetradecanoylamino)-6-[[(2R,3R,4R,5R,6R)-3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxy-oxan-2-yl]methoxy]-4-(3-hydroxytetradecanoyloxy)-3-phosphonooxy-oxan-2-yl]methoxy]-5-hydroxy-oxane-2-carboxylic acid
Registries:
PubChem CID 440964
PubChem ID 8490
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|