O-(N-Acetyl-?-neuraminosyl)-(2?3)-O-?-D-galactopyranosyl-(1?3)-O-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl-(1?3)-O-?-D-galactopyranosyl-(1?4)-O-?-D-galactopyranosyl-(1?4)-?-D-glucopyranose

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H72N2O34
Molecular Weight	1161.0248
Optical Activity	UNSPECIFIED
Defined Stereocenters	31 / 31
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-(N-Acetyl-?-neuraminosyl)-(2?3)-O-?-D-galactopyranosyl-(1?3)-O-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl-(1?3)-O-?-D-galactopyranosyl-(1?4)-O-?-D-galactopyranosyl-(1?4)-?-D-glucopyranose

Structure Search

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@@H](CO)O[C@@H](O[C@@H]6[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O

InChI

InChIKey=CVJMMLQZMVLCDY-JIRPOHLFSA-N

InChI=1S/C43H72N2O34/c1-10(52)44-19-12(54)3-43(42(67)68,78-34(19)21(56)13(55)4-46)79-36-24(59)16(7-49)72-41(30(36)65)76-33-20(45-11(2)53)38(70-14(5-47)22(33)57)77-35-23(58)15(6-48)71-40(29(35)64)75-32-18(9-51)73-39(28(63)26(32)61)74-31-17(8-50)69-37(66)27(62)25(31)60/h12-41,46-51,54-66H,3-9H2,1-2H3,(H,44,52)(H,45,53)(H,67,68)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39-,40+,41-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H72N2O34
Molecular Weight	1161.0248
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	31 / 31
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:19:22 GMT 2025` Edited by `admin` on `Wed Apr 02 20:19:22 GMT 2025`
Record UNII	57Q49EEP2Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SSEA-4 hexaose

Preferred Name

English

O-(N-Acetyl-?-neuraminosyl)-(2?3)-O-?-D-galactopyranosyl-(1?3)-O-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl-(1?3)-O-?-D-galactopyranosyl-(1?4)-O-?-D-galactopyranosyl-(1?4)-?-D-glucopyranose

Common Name

English

Stage-Specific Embryonic Antigen-4

Common Name

English

?-D-Glucopyranose, O-(N-acetyl-?-neuraminosyl)-(2?3)-O-?-D-galactopyranosyl-(1?3)-O-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl-(1?3)-O-?-D-galactopyranosyl-(1?4)-O-?-D-galactopyranosyl-(1?4)-

Common Name

English

Code System Code Type Description

CAS

1801921-94-7

Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025

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FDA UNII

57Q49EEP2Y

Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025

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PUBCHEM

73427363

Created by admin on Wed Apr 02 20:19:22 GMT 2025 , Edited by admin on Wed Apr 02 20:19:22 GMT 2025

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