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nLc6Cer(d18:1/22:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102557Image of MNXM1102557
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC80H145N3O33
charge0
mass1675.97603
referencelipidmapsM:LMSP0505AL04
InChIKeyQHFHFOYQVYXGGJ-FABFDYIQSA-N
InChIInChI=1S/C80H145N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(93)83-48(49(92)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-105-77-67(102)65(100)72(55(44-89)111-77)114-80-69(104)74(61(96)52(41-86)108-80)116-76-58(82-47(4)91)63(98)71(54(43-88)110-76)113-79-68(103)73(60(95)51(40-85)107-79)115-75-57(81-46(3)90)62(97)70(53(42-87)109-75)112-78-66(101)64(99)59(94)50(39-84)106-78/h35,37,48-55,57-80,84-89,92,94-104H,5-34,36,38-45H2,1-4H3,(H,81,90)(H,82,91)(H,83,93)/b37-35+/t48-,49+,50?,51?,52?,53?,54?,55?,57?,58?,59-,60-,61-,62+,63+,64-,65+,66?,67?,68?,69?,70+,71+,72+,73-,74-,75-,76-,77+,78-,79-,80-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
lipidmaps:LMSP0505AL04
lipidmapsM:LMSP0505AL04
nLc6Cer(d18:1/22:0)
Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)
Hex(4)-HexNAc(2)-Cer 40:1
O2