Lacto-N-difucohexaose I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H65NO29
Molecular Weight	999.912
Optical Activity	UNSPECIFIED
Defined Stereocenters	29 / 29
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OQIUPKPUOLIHHS-URTONSIPSA-N

InChI=1S/C38H65NO29/c1-9-18(48)23(53)26(56)35(59-9)65-30-16(8-44)63-34(67-32-22(52)15(7-43)61-37(28(32)58)64-29(13(47)5-41)20(50)12(46)4-40)17(39-11(3)45)31(30)66-38-33(25(55)21(51)14(6-42)62-38)68-36-27(57)24(54)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12-,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-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H65NO29
Molecular Weight	999.912
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	29 / 29
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:15:37 UTC 2023` Edited by `admin` on `Sat Dec 16 19:15:37 UTC 2023`
Record UNII	G3D6A7K67G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Lacto-N-difucohexaose I

Common Name

English

D-Glucose, O-6-deoxy-α-L-galactopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-

Systematic Name

English

LNDFH-I

Common Name

English

LND-I

Common Name

English

Code System Code Type Description

PUBCHEM

16219584

Created by admin on Sat Dec 16 19:15:37 UTC 2023 , Edited by admin on Sat Dec 16 19:15:37 UTC 2023

PRIMARY

EPA CompTox

DTXSID901044993

Created by admin on Sat Dec 16 19:15:37 UTC 2023 , Edited by admin on Sat Dec 16 19:15:37 UTC 2023

PRIMARY

FDA UNII

G3D6A7K67G

Created by admin on Sat Dec 16 19:15:37 UTC 2023 , Edited by admin on Sat Dec 16 19:15:37 UTC 2023

PRIMARY

CAS

16789-38-1

Created by admin on Sat Dec 16 19:15:37 UTC 2023 , Edited by admin on Sat Dec 16 19:15:37 UTC 2023

PRIMARY

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