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SSEA-4 antigen(d18:1/16:0)

PropertiesImageOccurences in reactions
MNX_IDMNXM1102814Image of MNXM1102814
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC77H137N3O36
charge0
mass1679.89818
referencelipidmapsM:LMSP0601AB01
InChIKeyCTPCDHQUBGDQLV-WTCGYRAESA-N
InChIInChI=1S/C77H137N3O36/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44(89)43(80-52(92)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)40-105-72-61(99)59(97)65(50(38-85)109-72)111-73-62(100)60(98)66(51(39-86)110-73)112-74-63(101)69(57(95)48(36-83)107-74)114-71-54(79-42(4)88)67(56(94)47(35-82)106-71)113-75-64(102)70(58(96)49(37-84)108-75)116-77(76(103)104)33-45(90)53(78-41(3)87)68(115-77)55(93)46(91)34-81/h29,31,43-51,53-75,81-86,89-91,93-102H,5-28,30,32-40H2,1-4H3,(H,78,87)(H,79,88)(H,80,92)(H,103,104)/b31-29+/t43-,44+,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-,77-/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](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)C5O)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:LMSP0601AB01
lipidmapsM:LMSP0601AB01
SSEA-4 antigen(d18:1/16:0)
Hex(4)-HexNAc-NeuAc-Cer 34:1
NeuAcalpha2-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0)
O2