U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H17NO8
Molecular Weight 291.2546
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-DEOXY-2,3-DEHYDRO-N-ACETYLNEURAMINIC ACID

SMILES

[H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO

InChI

InChIKey=JINJZWSZQKHCIP-UFGQHTETSA-N
InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H17NO8
Molecular Weight 291.2546
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:59:23 GMT 2023
Edited
by admin
on Fri Dec 15 17:59:23 GMT 2023
Record UNII
QR7675ZK8X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-DEOXY-2,3-DEHYDRO-N-ACETYLNEURAMINIC ACID
Common Name English
D-GLYCERO-D-GALACTO-NON-2-ENONIC ACID, 5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-DIDEOXY-
Systematic Name English
D-GLYCERO-D-GALACTO-NON-2-ENONIC ACID, 5-ACETAMIDO-2,6-ANHYDRO-3,5-DIDEOXY-
Systematic Name English
2,3-DEHYDRO-2-DEOXY-N-ACETYLNEURAMINIC ACID
Systematic Name English
NEURAMINIC ACID, N-ACETYL-2,3-DIDEHYDRO-2-DEOXY-
Systematic Name English
5-ACETAMIDO-2,6-ANHYDRO-3,5-DIDEOXY-D-GLYCERO-D-GALACTONON-2-ENONIC ACID
Systematic Name English
2-DEOXY-2,3-DIDEHYDRO-N-ACETYLNEURAMINIC ACID
Systematic Name English
DANA
Common Name English
Code System Code Type Description
CAS
24967-27-9
Created by admin on Fri Dec 15 17:59:23 GMT 2023 , Edited by admin on Fri Dec 15 17:59:23 GMT 2023
PRIMARY
PUBCHEM
65309
Created by admin on Fri Dec 15 17:59:23 GMT 2023 , Edited by admin on Fri Dec 15 17:59:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-550-7
Created by admin on Fri Dec 15 17:59:23 GMT 2023 , Edited by admin on Fri Dec 15 17:59:23 GMT 2023
PRIMARY
CHEBI
34873
Created by admin on Fri Dec 15 17:59:23 GMT 2023 , Edited by admin on Fri Dec 15 17:59:23 GMT 2023
PRIMARY
CHEBI
28062
Created by admin on Fri Dec 15 17:59:23 GMT 2023 , Edited by admin on Fri Dec 15 17:59:23 GMT 2023
PRIMARY
DRUG BANK
DB03991
Created by admin on Fri Dec 15 17:59:23 GMT 2023 , Edited by admin on Fri Dec 15 17:59:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID80179682
Created by admin on Fri Dec 15 17:59:23 GMT 2023 , Edited by admin on Fri Dec 15 17:59:23 GMT 2023
PRIMARY
FDA UNII
QR7675ZK8X
Created by admin on Fri Dec 15 17:59:23 GMT 2023 , Edited by admin on Fri Dec 15 17:59:23 GMT 2023
PRIMARY