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Aleb(d18:1/16:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM27589Image of MNXM27589
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC80H143N3O36
charge0
mass1721.94513
referencelipidmapsM:LMSP0504AH01
InChIKeyGSXYVDPKBGHSQX-WFKBXBCZSA-N
InChIInChI=1S/C80H143N3O36/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-46(91)45(83-52(92)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)40-106-76-66(104)63(101)68(50(38-87)113-76)114-79-67(105)71(58(96)48(36-85)110-79)117-75-54(82-44(6)90)70(69(51(39-88)112-75)115-77-64(102)61(99)55(93)41(3)107-77)116-80-73(119-78-65(103)62(100)56(94)42(4)108-78)72(59(97)49(37-86)111-80)118-74-53(81-43(5)89)60(98)57(95)47(35-84)109-74/h31,33,41-42,45-51,53-80,84-88,91,93-105H,7-30,32,34-40H2,1-6H3,(H,81,89)(H,82,90)(H,83,92)/b33-31+/t41?,42?,45-,46+,47?,48?,49?,50?,51?,53?,54?,55+,56+,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(C)[C@@H](O)C(O)[C@@H]4O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
lipidmaps:LMSP0504AH01
lipidmapsM:LMSP0504AH01
Aleb(d18:1/16:0)
GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)
Hex(3)-HexNAc(2)-Fuc(2)-Cer 34:1
O2