GANGLIOSIDE M2

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C68H123N3O26
Molecular Weight	1398.7087
Optical Activity	UNSPECIFIED
Defined Stereocenters	23 / 23
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCCCCCC(=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](OC[C@]4(C[C@@H](O)[C@H](NC(C)=O)[C@H](O4)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H]1O)[C@@H](O)\C=C\CCCCCCCCCCCCC

InChI

InChIKey=USMMPBVNWHAJBE-YMEOXFOQSA-N

InChI=1S/C68H123N3O26/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-51(81)71-44(45(78)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-90-65-58(86)57(85)60(49(38-74)93-65)95-66-59(87)63(61(50(39-75)94-66)96-64-53(70-43(4)77)56(84)55(83)48(37-73)92-64)91-41-68(67(88)89)35-46(79)52(69-42(3)76)62(97-68)54(82)47(80)36-72/h31,33,44-50,52-66,72-75,78-80,82-87H,5-30,32,34-41H2,1-4H3,(H,69,76)(H,70,77)(H,71,81)(H,88,89)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-,56+,57+,58+,59+,60+,61-,62+,63+,64-,65-,66-,68-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C68H123N3O26
Molecular Weight	1398.7087
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	23 / 23
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:37:17 UTC 2023` Edited by `admin` on `Sat Dec 16 17:37:17 UTC 2023`
Record UNII	X8HRQ6G9HF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GANGLIOSIDE M2

Systematic Name

English

SIALOSYLGANGLIO-N-TRIAOSYLCERAMIDE

Systematic Name

English

GANGLIOSIDE A1

Systematic Name

English

GANGLIOSIDE G5

Systematic Name

English

GM2

Common Name

English

TAY-SACHS GANGLIOSIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

71308211