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CMP-N-glycoloyl-beta-neuraminate

PropertiesImage
MNX_IDMNXM1104124 Image of MNXM1104124
referencechebi:58376
formulaC20H29N4O17P
global charge-2
mol weight628.437
InChIKeyHOEWKBQADMRCLO-UIUGZIMDSA-L
InChIInChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/p-2/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1
SMILESNC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])O[C@@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H](O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1 Image of MNXM1104124
SMILES (mnx)[CH:1]1=[CH:2][N:24]([C@H:17]2[C@H:15]([OH:32])[C@H:14]([OH:31])[C@@H:9]([CH2:6][O:38][P:42]([OH:36])(=[O:37])[O:41][C@@:20]3([C:18](=[O:33])[OH:34])[CH2:3][C@H:7]([OH:27])[C@@H:12]([N:23]=[C:11]([CH2:5][OH:26])[OH:29])[C@H:16]([C@@H:13]([C@@H:8]([CH2:4][OH:25])[OH:28])[OH:30])[O:40]3)[O:39]2)[C:19]([OH:35])=[N:22][C:10]1=[NH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58376
chebi:58376
HOEWKBQADMRCLO-UIUGZIMDSA-L 		CMP-N-glycoloyl-beta-neuraminate
CMP-N-glycoloyl-beta-neuraminate dianion
CMP-N-glycoloyl-beta-neuraminate(2-)

vmhM:HC01162
vmhmetabolite:HC01162
HOEWKBQADMRCLO-UIUGZIMDSA-L 		(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphinato)oxy]-...
HMDB website:automatic:02-Jul-2022 03:52:22

bigg.metabolite:HC01162
biggM:HC01162
HOEWKBQADMRCLO-UIUGZIMDSA-L 		(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphinato)oxy]-4-hydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
hmdb:HMDB0062569
HOEWKBQADMRCLO-UIUGZIMDSA-N 		CMP-N-glycoloyl-beta-neuraminate(2-)
2-({[3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-5-[(1,2-dihydroxyethylidene)amino]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
2-[({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-[(1,2-dihydroxyethylidene)amino]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CMP-N-Glycoloyl-b-neuraminate
CMP-N-Glycoloyl-b-neuraminate dianion
CMP-N-Glycoloyl-b-neuraminate(2-)
CMP-N-Glycoloyl-b-neuraminic acid
CMP-N-Glycoloyl-b-neuraminic acid dianion
CMP-N-Glycoloyl-b-neuraminic acid(2-)
CMP-N-Glycoloyl-beta-neuraminate
CMP-N-Glycoloyl-beta-neuraminate dianion
CMP-N-Glycoloyl-beta-neuraminate(2-)
CMP-N-Glycoloyl-beta-neuraminic acid
CMP-N-Glycoloyl-beta-neuraminic acid dianion
CMP-N-Glycoloyl-beta-neuraminic acid(2-)

metacyc.compound:CPD-262
metacycM:CPD-262
HOEWKBQADMRCLO-UIUGZIMDSA-L 		CMP-N-glycoloyl-beta-neuraminate
CMP-N-glycolyl-beta-neuraminate

CHEBI:18098
chebi:18098
HOEWKBQADMRCLO-UIUGZIMDSA-N 		CMP-N-glycoloyl-beta-neuraminic acid
CMP-N-glycoloylneuraminate
CMP-N-glycolylneuraminate
CMP-Neu5Gc
CMP-NeuNGc
CMP-beta-Neu5Gc
cytidine 5'-[3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate]
cytidine-5'-monophosphono-N-glycoloyllneuraminic acid

bigg.metabolite:cmpglna
biggM:cmpglna
HOEWKBQADMRCLO-UIUGZIMDSA-L 		CMP-N-glycoloylneuraminate

kegg.compound:C03691
keggC:C03691
HOEWKBQADMRCLO-UIUGZIMDSA-N 		CMP-N-glycoloylneuraminate
CMP-N-glycolylneuraminate
CMP-Neu5Gc

sabiork.compound:6797
sabiorkM:6797
HOEWKBQADMRCLO-UIUGZIMDSA-N 		CMP-N-glycoloylneuraminate
CMP-N-glycolylneuraminate
CMP-NeuNGc

seed.compound:cpd02319
seedM:cpd02319
HOEWKBQADMRCLO-UIUGZIMDSA-L 		CMP-NeuNGc
CMP-N-glycoloyl-beta-neuraminate
CMP-N-glycoloylneuraminate
CMP-N-glycolyl-beta-neuraminate
CMP-N-glycolylneuraminate

hmdb:HMDB62569
chebi:13278
chebi:13280
chebi:20877
chebi:3280
biggM:M_HC01162
biggM:M_cmpglna
keggC:M_C03691
seedM:M_cpd02319
vmhM:M_HC01162 		secondary/obsolete/fantasy identifier