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

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UDP-N-acetyl-alpha-D-mannosaminouronate

	Properties	Image
MNX_ID	MNXM1105744
reference	chebi:70731
formula	C₁₇H₂₂N₃O₁₈P₂
global charge	-3
mol weight	618.314
InChIKey	DZOGQXKQLXAPND-XHUKORKBSA-K
InChI	InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/p-3/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1
SMILES	CC(=O)N[C@@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)[O-])[C@@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1
SMILES (mnx)	[CH3:1][C:5](=[N:18][C@H:8]1[C@@H:10]([OH:24])[C@H:11]([OH:25])[C@@H:13]([C:15](=[O:27])[OH:28])[O:36][C@@H:16]1[O:37][P:40]([OH:32])(=[O:33])[O:38][P:39]([OH:30])(=[O:31])[O:34][CH2:4][C@@H:6]1[C@@H:9]([OH:23])[C@@H:12]([OH:26])[C@H:14]([N:20]2[CH:3]=[CH:2][C:7]([OH:22])=[N:19][C:17]2=[O:29])[O:35]1)[OH:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70731 chebi:70731 DZOGQXKQLXAPND-XHUKORKBSA-K	UDP-N-acetyl-alpha-D-mannosaminouronate UDP-N-acetyl-alpha-D-mannosaminouronate(3-)
bigg.metabolite:uacmamu biggM:uacmamu vmhM:uacmamu vmhmetabolite:uacmamu DZOGQXKQLXAPND-UHFFFAOYSA-K	UDP-N-acetyl-D-mannosaminouronate
metacyc.compound:UDP-NAC-MANNOS metacycM:UDP-NAC-MANNOS sabiork.compound:8473 sabiorkM:8473 DZOGQXKQLXAPND-WVDWHLDBSA-K DZOGQXKQLXAPND-WVDWHLDBSA-N	UDP-N-acetyl-D-mannosaminouronate UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate UDP-N-acetyl-D-mannosaminuronic acid
kegg.compound:C06240 keggC:C06240 DZOGQXKQLXAPND-XHUKORKBSA-N	UDP-N-acetyl-D-mannosaminouronate UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate UDP-N-acetyl-D-mannosaminuronic acid UDP-N-acetyl-alpha-D-mannosaminuronate
seed.compound:cpd03732 seedM:cpd03732 DZOGQXKQLXAPND-XHUKORKBSA-K	UDP-N-acetyl-D-mannosaminouronate UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate UDP-N-acetyl-D-mannosaminuronic acid UDP-N-acetyl-alpha-D-mannosaminuronate uacmamu
CHEBI:58578 chebi:58578 DZOGQXKQLXAPND-WVDWHLDBSA-K	UDP-N-acetyl-D-mannosaminouronate UDP-N-acetyl-D-mannosaminouronate(3-)
CHEBI:28581 chebi:28581 DZOGQXKQLXAPND-WVDWHLDBSA-N	UDP-N-acetyl-D-mannosaminouronic acid uridine 5'-[3-(2-acetamido-2-deoxy-D-mannopyranosyluronic acid) dihydrogen diphosphate]
CHEBI:70738 chebi:70738 DZOGQXKQLXAPND-XHUKORKBSA-N	UDP-N-acetyl-alpha-D-mannosaminouronic acid UDP-N-acetyl-2-amino-2-deoxy-D-mannuronate UDP-N-acetyl-D-mannosaminuronic acid uridine 5'-[3-(2-acetamido-2-deoxy-alpha-D-mannopyranosyluronic acid) dihydrogen diphosphate]
metacyc.compound:UDP-MANNACA metacycM:UDP-MANNACA DZOGQXKQLXAPND-XHUKORKBSA-K	UDP-N-acetyl-alpha-D-mannosaminuronate UDP-ManNAcA
seed.compound:cpd02703 seedM:cpd02703 DZOGQXKQLXAPND-XHUKORKBSA-K	UDP-N-acetyl-beta-D-mannosaminouronate UDP-ManNAcA UDP-N-acetyl-D-mannosaminouronate UDP-N-acetyl-D-mannosaminouronic-acid UDP-N-acetyl-mannosaminouronic acid
chebi:22117 chebi:9825 biggM:M_uacmamu keggC:M_C06240 seedM:M_cpd02703 seedM:M_cpd03732 vmhM:M_uacmamu	secondary/obsolete/fantasy identifier