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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31N4O16P
Molecular Weight 614.4511
Optical Activity ( - )
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYTIDINE 5'-MONOPHOSPHATE-N-ACETYLNEURAMINIC ACID

SMILES

[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(N)=NC3=O)C(O)=O)[C@H](O)[C@H](O)CO

InChI

InChIKey=TXCIAUNLDRJGJZ-BILDWYJOSA-N
InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CYTIDINE 5'-MONOPHOSPHATE-N-ACETYLNEURAMINIC ACID
Systematic Name English
N-ACETYL-.BETA.-NEURAMINIC ACID 2-(HYDROGEN 5'-CYTIDYLATE)
Systematic Name English
(2S,4S,5S,6S)-5-ACETAMIDO-2-(((2R,3S,4S,5R)-5-(4-AZANYL-2-OXIDANYLIDENE-PYRIMIDIN-1-YL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL)METHOXY-OXIDANYL-PHOSPHORYL)OXY-4-OXIDANYL-6-((1S,2S)-1,2,3-TRIS(OXIDANYL)PROPYL)OXANE-2-CARBOXYLIC ACID
Systematic Name English
CMP-N-ACETYLNEURAMINIC ACID
Common Name English
.BETA.-NEURAMINIC ACID, N-ACETYL-, 2-(HYDROGEN 5'-CYTIDYLATE)
Systematic Name English
NEURAMINIC ACID, N-ACETYL-, 2-ESTER WITH 5'-CYTIDYLIC ACID
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10904348
Created by admin on Sat Dec 16 15:35:11 GMT 2023 , Edited by admin on Sat Dec 16 15:35:11 GMT 2023
PRIMARY
FDA UNII
T8I6M8AXA0
Created by admin on Sat Dec 16 15:35:11 GMT 2023 , Edited by admin on Sat Dec 16 15:35:11 GMT 2023
PRIMARY
PUBCHEM
448209
Created by admin on Sat Dec 16 15:35:11 GMT 2023 , Edited by admin on Sat Dec 16 15:35:11 GMT 2023
PRIMARY
CAS
3063-71-6
Created by admin on Sat Dec 16 15:35:11 GMT 2023 , Edited by admin on Sat Dec 16 15:35:11 GMT 2023
PRIMARY