InChI=1S/C87H151N5O42/c1- 7- 9- 11- 13- 15- 17- 19- 21- 23- 25- 27- 29- 31- 33- 50(103) 49(92- 60(108) 34- 32- 30- 28- 26- 24- 22- 20- 18- 16- 14- 12- 10- 8- 2) 44- 123- 80- 71(115) 70(114) 73(58(42- 97) 125- 80) 127- 81- 72(116) 78(74(59(43- 98) 126- 81) 128- 79- 64(91- 48(6) 102) 69(113) 66(110) 55(39- 94) 124- 79) 134- 87(84(121) 122) 37- 53(106) 63(90- 47(5) 101) 77(133- 87) 68(112) 57(41- 96) 130- 86(83(119) 120) 36- 52(105) 62(89- 46(4) 100) 76(132- 86) 67(111) 56(40- 95) 129- 85(82(117) 118) 35- 51(104) 61(88- 45(3) 99) 75(131- 85) 65(109) 54(107) 38- 93/h31,33,49- 59,61- 81,93- 98,103- 107,109- 116H,7- 30,32,34- 44H2,1- 6H3,(H,88,99) (H,89,100) (H,90,101) (H,91,102) (H,92,108) (H,117,118) (H,119,120) (H,121,122) /b33- 31+/t49- ,50+,51- ,52- ,53- ,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66- ,67+,68+,69+,70+,71+,72+,73+,74- ,75+,76+,77+,78+,79- ,80+,81- ,85+,86+,87- /m0/s1 |
VEQIRBNQLSOJBN-WQAKHMPDSA-N |
CCCCCCCCCCCCCCCC(=O) N[C@@H] (CO[C@@H] 1O[C@H] (CO) [C@@H] (O[C@@H] 2O[C@H] (CO) [C@H] (O[C@@H] 3O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H] 3NC(C) =O) [C@H] (O[C@@] 3(C[C@H] (O) [C@@H] (NC(C) =O) [C@@H] (O3) [C@H] (O) [C@@H] (CO) O[C@@] 3(C[C@H] (O) [C@@H] (NC(C) =O) [C@@H] (O3) [C@H] (O) [C@@H] (CO) O[C@@] 3(C[C@H] (O) [C@@H] (NC(C) =O) [C@@H] (O3) [C@H] (O) [C@H] (O) CO) C(O) =O) C(O) =O) C(O) =O) [C@H] 2O) [C@H] (O) [C@H] 1O) [C@H] (O) \C=C\CCCCCCCCCCCCC |
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View more via ChEBI Ontology
Outgoing
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β- GalNAc- (1→4)- [α- Neu5Ac- (2→8)- α- Neu5Ac- (2→8)- α- Neu5Ac- (2→3)]- β- Gal- (1→4)- β- Glc- (1→1')- Cer(d18:1/16:0)
(CHEBI:84653)
has functional parent
hexadecanoic acid
(CHEBI:15756)
β- GalNAc- (1→4)- [α- Neu5Ac- (2→8)- α- Neu5Ac- (2→8)- α- Neu5Ac- (2→3)]- β- Gal- (1→4)- β- Glc- (1→1')- Cer(d18:1/16:0)
(CHEBI:84653)
has role
mouse metabolite
(CHEBI:75771)
β- GalNAc- (1→4)- [α- Neu5Ac- (2→8)- α- Neu5Ac- (2→8)- α- Neu5Ac- (2→3)]- β- Gal- (1→4)- β- Glc- (1→1')- Cer(d18:1/16:0)
(CHEBI:84653)
is a
sialotriaosylceramide
(CHEBI:36541)
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(2S,3R,4E)- 2- (hexadecanoylamino)- 3- hydroxyoctadec- 4- en- 1- yl (6R)- 5- (acetylamino)- 6- [(1S,2R)- 2- ({(6R)- 5- (acetylamino)- 6- [(1S,2R)- 2- ({(6R)- 5- (acetylamino)- 3,5- dideoxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]- β- L- threo- hex- 2- ulopyranonosyl}oxy)- 1,3- dihydroxypropyl]- 3,5- dideoxy- b- L- threo- hex- 2- ulopyranonosyl}oxy)- 1,3- dihydroxypropyl]- 3,5- dideoxy- β- L- threo- hex- 2- ulopyranonosyl- (2→3)- [2- (acetylamino)- 2- deoxy- β- D- galactopyranosyl- (1→4)]- β- D- galactopyranosyl- (1→4)- β- D- glucopyranoside
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