MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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3',5'-cyclic CMP

	Properties	Image
MNX_ID	MNXM3162
reference	chebi:58003
formula	C₉H₁₁N₃O₇P
global charge	-1
mol weight	304.175
InChIKey	WCPTXJJVVDAEMW-XVFCMESISA-M
InChI	InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/p-1/t4-,6-,7-,8-/m1/s1
SMILES	NC1=NC(=O)N([C@@H]2O[C@@H]3COP(=O)([O-])O[C@H]3[C@H]2O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][N:12]([C@H:8]2[C@H:6]([OH:13])[C@H:7]3[C@@H:4]([CH2:3][O:17][P:20]([OH:15])(=[O:16])[O:19]3)[O:18]2)[C:9]([OH:14])=[N:11][C:5]1=[NH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58003 chebi:58003 WCPTXJJVVDAEMW-XVFCMESISA-M	3',5'-cyclic CMP 3',5'-cyclic CMP anion 3',5'-cyclic CMP(1-) cytidine 3',5'-phosphate cytidine 3',5'-phosphate(1-)
seed.compound:cpd00696 seedM:cpd00696 WCPTXJJVVDAEMW-XVFCMESISA-M	3',5'-Cyclic CMP 3',5'-cyclic CMP 35ccmp Cytidine 3',5'-cyclic monophosphate cCMP cyclic 3',5'-CMP cyclic 3',5'-cytidine monophosphate cyclic-CMP cytidine 3',5'-cyclic monophosphate cytidine cyclic-monophosphate
kegg.compound:C00941 keggC:C00941 WCPTXJJVVDAEMW-XVFCMESISA-N	3',5'-Cyclic CMP Cytidine 3',5'-cyclic monophosphate
CHEBI:17065 chebi:17065 WCPTXJJVVDAEMW-XVFCMESISA-N	3',5'-cyclic CMP 3',5'-Cyclic CMP Cyclic cmp Cytidine 3',5'-cyclic monophosphate Cytidine, cyclic 3',5'-(hydrogen phosphate) cCMP cytidine 3',5'-(hydrogen phosphate)
vmhM:35ccmp vmhmetabolite:35ccmp WCPTXJJVVDAEMW-XVFCMESISA-N	3,5-Cyclic CMP (iMM904)
metacyc.compound:CPD-683 metacycM:CPD-683 WCPTXJJVVDAEMW-XVFCMESISA-M	cyclic-CMP cCMP cyclic 3',5'-CMP cyclic 3',5'-cytidine monophosphate cytidine 3',5'-cyclic monophosphate cytidine cyclic-monophosphate
chebi:11674 chebi:1326 chebi:19828 keggC:M_C00941 seedM:M_cpd00696 vmhM:M_35ccmp	secondary/obsolete/fantasy identifier