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KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM25509Image of MNXM25509
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC61H113NO21
charge0
mass1195.78051
referencelipidmapsM:LMSP0601DH04
InChIKeyQMZAZILTZNUIGX-QWSHRKCXSA-N
InChIInChI=1S/C61H113NO21/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-48(69)62-42(43(66)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)41-78-58-53(74)52(73)55(47(40-65)80-58)81-59-54(75)57(51(72)46(39-64)79-59)83-61(60(76)77)37-44(67)49(70)56(82-61)50(71)45(68)38-63/h33,35,42-47,49-59,63-68,70-75H,3-32,34,36-41H2,1-2H3,(H,62,69)(H,76,77)/b35-33+/t42-,43+,44?,45+,46?,47?,49+,50+,51-,52+,53?,54?,55+,56?,57-,58+,59-,61-/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@]3(C(=O)O)CC(O)[C@@H](O)C([C@H](O)[C@H](O)CO)O3)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
lipidmaps:LMSP0601DH04
lipidmapsM:LMSP0601DH04
KDNalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)
Hex(2)-KDN-Cer 40:1
O2