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Branched Forssman(d18:1/16:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1103076Image of MNXM1103076
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC82H146N4O38
charge0
mass1794.96151
referencelipidmapsM:LMSP0502AT01
InChIKeyUWUHROOSIZPQSH-WLMYYIFHSA-N
InChIInChI=1S/C82H146N4O38/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(97)45(86-54(98)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)41-111-79-67(108)64(105)70(51(38-91)116-79)119-81-68(109)65(106)71(52(39-92)117-81)120-82-69(110)75(124-78-56(84-43(4)95)73(60(101)49(36-89)114-78)122-76-55(83-42(3)94)62(103)58(99)47(34-87)112-76)72(53(40-93)118-82)121-77-57(85-44(5)96)74(61(102)50(37-90)113-77)123-80-66(107)63(104)59(100)48(35-88)115-80/h30,32,45-53,55-82,87-93,97,99-110H,6-29,31,33-41H2,1-5H3,(H,83,94)(H,84,95)(H,85,96)(H,86,98)/b32-30+/t45-,46+,47?,48?,49?,50?,51?,52?,53?,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-,81-,82-/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]3OC(CO)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5O)C4NC(C)=O)[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)C4NC(C)=O)C3O)[C@H](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:LMSP0502AT01
lipidmapsM:LMSP0502AT01
Branched Forssman(d18:1/16:0)
GalNAcalpha1-3GalNAcbeta1-3(Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0)
Hex(4)-HexNAc(3)-Cer 34:1
O2