Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

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

PropertiesImage
MNX_IDMNXM148993 Image of MNXM148993
referencechebi:229976
formulaC22H31N4O17P
global charge-2
mol weight654.475
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
SMILESCC(=O)N[C@H]1[C@H]([C@H](OC(C)=O)[C@H](O)CO)O[C@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)[O-])C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t10-,11+,12+,14+,15+,16+,17+,18+,19+,22+/m0/s1 Image of MNXM148993
SMILES (mnx)[C@H:1]1([C@@H:11]([C@H:12]([CH2:14][CH3:16])[CH3:15])[CH2:13][O:42]([OH:43])=[PH:44])[C@@H:2]([CH2:17][C:18](=[O:40])[OH:41])[C@H:4]([CH3:8])[CH2:5][C@:6]([C:7]([CH3:9])=[CH2:10])([CH2:19][C:22](=[CH2:20])([CH3:21])[O:38][O:39][N:23]2[NH:24][N:26]([O:29]3[O:31](=[O:34])[O:33]=[O:36]([OH:37])[O:35]=[O:32]3)[O:27]([OH:30])[N:25]2[OH:28])[CH2:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:229976
chebi:229976
SXXZZRFINHAESH-BFFRMRRTSA-L 		CMP-N-acetyl-7-O-acetyl-beta-neuraminate
CMP-N-beta-acetyl-7-O-acetylneuraminate(2-)
CMP-Neu5,7Ac2(2-)

seed.compound:cpd33657
seedM:cpd33657
SXXZZRFINHAESH-BFFRMRRTSA-L 		CMP-7-O-acetyl-N-acetyl-beta-neuraminate
CMP-N-acetyl-7-O-acetyl-beta-neuraminate

metacyc.compound:CPD-16881
metacycM:CPD-16881
SXXZZRFINHAESH-BFFRMRRTSA-L 		CMP-N-acetyl-7-O-acetyl-beta-neuraminate
CMP-7-O-acetyl-N-acetyl-beta-neuraminate

seedM:M_cpd33657 		secondary/obsolete/fantasy identifier