Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

CMP-7-O-acetyl-N-acetyl-beta-neuraminate

PropertiesImageOccurences in reactions
MNX_IDMNXM148993Image of MNXM148993
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC22H31N4O17P
charge-2
mass654.474
referenceseedM:cpd33657
InChIKeySXXZZRFINHAESH-BFFRMRRTSA-L
InChIInChI=1S/C22H33N4O17P/c1-8(28)24-14-10(30)5-22(20(34)35,42-18(14)17(11(31)6-27)40-9(2)29)43-44(37,38)39-7-12-15(32)16(33)19(41-12)26-4-3-13(23)25-21(26)36/h3-4,10-12,14-19,27,30-33H,5-7H2,1-2H3,(H,24,28)(H,34,35)(H,37,38)(H2,23,25,36)/p-2/t10-,11+,12+,14+,15+,16+,17+,18+,19+,22+/m0/s1
SMILES[CH3:1][C:8](=[N:24][C@@H:14]1[C@@H:10]([OH:30])[CH2:5][C@:22]([C:20](=[O:34])[OH:35])([O:43][P:44]([OH:37])(=[O:38])[O:39][CH2:7][C@@H:12]2[C@@H:15]([OH:32])[C@@H:16]([OH:33])[C@H:19]([n:26]3[cH:4][cH:3][c:13](=[NH:23])[n:25][c:21]3[OH:36])[O:41]2)[O:42][C@H:18]1[C@@H:17]([C@@H:11]([CH2:6][OH:27])[OH:31])[O:40][C:9]([CH3:2])=[O:29])[OH:28]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd33657
seedM:cpd33657 		CMP-7-O-acetyl-N-acetyl-beta-neuraminate
CMP-N-acetyl-7-O-acetyl-beta-neuraminate
metacyc.compound:CPD-16881
metacycM:CPD-16881 		CMP-N-acetyl-7-O-acetyl-beta-neuraminate
CMP-7-O-acetyl-N-acetyl-beta-neuraminate
seedM:M_cpd33657 secondary/obsolete/fantasy identifier