Search MNXref
 Feedback

CMP-3-deoxy-D-manno-octulosonate

PropertiesImage
MNX_IDMNXM737872 Image of MNXM737872
referencebiggM:ckdo
formulaC17H24N3O15P
global charge-2
mol weight541.359
InChIKeyYWWJKULNWGRYAS-UHFFFAOYSA-L
InChIInChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/p-2
SMILESNC1=NC(=O)N(C2OC(COP(=O)([O-])OC3(C(=O)[O-])CC(O)C(O)C(C(O)CO)O3)C(O)C2O)C=C1
MNX internals
InChI (mnx)InChI=1/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6?,7?,8?,10?,11?,12?,13?,14?,17? Image of MNXM737872
SMILES (mnx)[CH:1]1=[CH:2][N:20]([CH:14]2[CH:12]([OH:26])[CH:11]([OH:25])[CH:8]([CH2:5][O:32][P:36]([OH:30])(=[O:31])[O:35][C:17]3([C:15](=[O:27])[OH:28])[CH2:3][CH:6]([OH:22])[CH:10]([OH:24])[CH:13]([CH:7]([CH2:4][OH:21])[OH:23])[O:34]3)[O:33]2)[C:16]([OH:29])=[N:19][C:9]1=[NH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:ckdo
biggM:ckdo
YWWJKULNWGRYAS-UHFFFAOYSA-L 		CMP-3-deoxy-D-manno-octulosonate
hmdb:HMDB0304292
YWWJKULNWGRYAS-UHFFFAOYSA-L 		CMP-3-deoxy-D-manno-octulosonate
2-({[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphinato}oxy)-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylate
2-[({[3,4-dihydroxy-5-(4-imino-2-oxido-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid
2-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphinato)oxy]-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylate
CMP-3-Deoxy-D-manno-octulosonic acid

biggM:M_ckdo 		secondary/obsolete/fantasy identifier