InChI=1S/C68H121N3O29/c1- 5- 7- 9- 11- 13- 15- 17- 19- 21- 23- 25- 27- 29- 31- 43(78) 42(71- 50(82) 32- 30- 28- 26- 24- 22- 20- 18- 16- 14- 12- 10- 8- 6- 2) 39- 93- 63- 57(87) 56(86) 59(49(38- 75) 95- 63) 96- 64- 58(88) 62(54(84) 47(36- 73) 94- 64) 100- 68(66(91) 92) 34- 45(80) 52(70- 41(4) 77) 61(99- 68) 55(85) 48(37- 74) 97- 67(65(89) 90) 33- 44(79) 51(69- 40(3) 76) 60(98- 67) 53(83) 46(81) 35- 72/h29,31,42- 49,51- 64,72- 75,78- 81,83- 88H,5- 28,30,32- 39H2,1- 4H3,(H,69,76) (H,70,77) (H,71,82) (H,89,90) (H,91,92) /b31- 29+/t42- ,43+,44- ,45- ,46+,47+,48+,49+,51+,52+,53+,54- ,55+,56+,57?,58+,59+,60?,61?,62- ,63+,64- ,67+,68- /m0/s1 |
WGTSGZPPZIZIMI-SMHGBGSGSA-N |
[C@] 1(C[C@@H] ([C@H] (C(O1) [C@@H] ([C@@H] (CO) O) O) NC(=O) C) O) (C(=O) O) O[C@@H] ([C@@H] (O) C2O[C@@] (C[C@@H] ([C@H] 2NC(=O) C) O) (O[C@@H] 3[C@H] ([C@@H] (O[C@@H] ([C@@H] 3O) CO) O[C@H] 4[C@@H] ([C@H] ([C@@H] (O[C@@H] 4CO) OC[C@@H] ([C@@H] (/C=C/CCCCCCCCCCCCC) O) NC(=O) CCCCCCCCCCCCCCC) O) O) O) C(=O) O) CO |
|
Homo sapiens
(NCBI:txid9606)
|
Found in
breast milk
(ENVO:02000031).
See:
PubMed
|
(2S,4S,5R)- 2- {[(1S,2R)- 1- [(3R,4S,6S)- 6- carboxy- 3- acetamido- 6- {[(2S,3R,4S,5S,6R)- 2- {[(2R,3S,4R,6R)- 6- {[(2S,3R,4E)- 2- hexadecanamido- 3- hydroxyoctadec- 4- en- 1- yl]oxy}- 4,5- dihydroxy- 2- (hydroxymethyl)oxan- 3- yl]oxy}- 3,5- dihydroxy- 6- (hydroxymethyl)oxan- 4- yl]oxy}- 4- hydroxyoxan- 2- yl]- 1,3- dihydroxypropan- 2- yl]oxy}- 5- acetamido- 4- hydroxy- 6- [(1R,2R)- 1,2,3- trihydroxypropyl]oxane- 2- carboxylic acid
|
HMDB
|
alpha- N- Acetylneuraminyl- 2,8- alpha- N- acetylneuraminyl- 2,3- beta- D- galactosyl- 1,4- beta- glucosyl- 1,1'- ceramide
|
HMDB
|
alpha- N- Acetylneuraminyl- 2,8- alpha- N- acetylneuraminyl- 2,3- beta- delta- galactosyl- 1,4- beta- glucosyl- 1,1'- ceramide
|
HMDB
|
Ganglioside GD3
|
HMDB
|
Ganglioside Glac2
|
HMDB
|
GD3
|
HMDB
|
Glac2
|
HMDB
|
II3(NeuAc)2-LacCer
|
HMDB
|
LMG 4
|
HMDB
|
N,N'-Diacetyl-Ganglioside GD3
|
HMDB
|
N,N'-Diacetylganglioside GD3
|
HMDB
|
N-Acetylneuraminyl N-acetylneuraminylgalactosylglucosylceramide
|
HMDB
|
NeuAc-alpha2->8NeuAc-alpha2->3Gal-beta1->4Glc-beta1->1'Cer
|
HMDB
|
NeuAc-alpha2->8NeuAc2->3LacCer
|
HMDB
|
NeuAc-GD3
|
HMDB
|
104443-61-0
|
CAS Registry Number
|
KEGG COMPOUND
|
10887501
|
PubMed citation
|
Europe PMC
|
11571697
|
PubMed citation
|
Europe PMC
|
1292783
|
PubMed citation
|
Europe PMC
|
15024124
|
PubMed citation
|
Europe PMC
|
2403416
|
PubMed citation
|
Europe PMC
|
7819150
|
PubMed citation
|
Europe PMC
|
8155384
|
PubMed citation
|
Europe PMC
|
9761454
|
PubMed citation
|
Europe PMC
|
|