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

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GDP-4-dehydro-alpha-D-rhamnose

	Properties	Image
MNX_ID	MNXM1104155
reference	chebi:57964
formula	C₁₆H₂₁N₅O₁₅P₂
global charge	-2
mol weight	585.312
InChIKey	PNHLMHWWFOPQLK-BKUUWRAGSA-L
InChI	InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/p-2/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1
SMILES	C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)C1=O

MNX internals

InChI (mnx)	InChI=1/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1
SMILES (mnx)	[CH3:1][C@@H:4]1[C:7](=[O:22])[C@H:9]([OH:24])[C@H:11]([OH:26])[C@@H:15]([O:35][P:38]([OH:30])(=[O:31])[O:36][P:37]([OH:28])(=[O:29])[O:32][CH2:2][C@@H:5]2[C@@H:8]([OH:23])[C@@H:10]([OH:25])[C@H:14]([N:21]3[CH:3]=[N:18][C:6]4=[C:12]3[NH:19][C:16](=[NH:17])[N:20]=[C:13]4[OH:27])[O:34]2)[O:33]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	24
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57964 chebi:57964 PNHLMHWWFOPQLK-BKUUWRAGSA-L	GDP-4-dehydro-alpha-D-rhamnose GDP-4-dehydro-6-deoxy-alpha-D-mannose dianion GDP-4-dehydro-6-deoxy-alpha-D-mannose(2-) guanosine 5'-[3-(6-deoxy-alpha-D-lyxo-hexopyranosyl-4-ulose) diphosphate]
hmdb:HMDB0001346 PNHLMHWWFOPQLK-BKUUWRAGSA-N	GDP-4-Dehydro-6-deoxy-D-mannose GDP-4-Dehydro-6-deoxy-D-talose GDP-4-Dehydro-6-deoxy-a-D-mannose GDP-4-Dehydro-6-deoxy-alpha-D-mannose GDP-4-Dehydro-D-rhamnose GDP-4-Dehydro-a-D-rhamnose GDP-4-Dehydro-alpha-D-rhamnose GDP-4-Keto-6-D-deoxymannose GDP-4-Keto-6-deoxy-D-mannose GDP-4-Keto-6-deoxymannose GDP-4-oxo-6-Deoxy-D-mannose GDP-4-oxo-6-Deoxymannose Guanosine 5'-(trihydrogen diphosphate), p'-(6-deoxy-a-D-lyxo-hexopyranos-4-ulos-1-yl) ester Guanosine 5'-(trihydrogen diphosphate), p'-(6-deoxy-alpha-D-lyxo-hexopyranos-4-ulos-1-yl) ester Guanosine 5'-(trihydrogen diphosphoric acid), p'-(6-deoxy-a-D-lyxo-hexopyranos-4-ulos-1-yl) ester Guanosine 5'-(trihydrogen diphosphoric acid), p'-(6-deoxy-alpha-D-lyxo-hexopyranos-4-ulos-1-yl) ester Guanosine 5'-diphosphate 4-keto-6-deoxy-D-mannose Guanosine diphosphate-4-keto-6-deoxy-D-mannose Guanosine diphosphoric acid-4-keto-6-deoxy-D-mannose [({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy})phosphinic acid gdp-4-keto-6-deoxymannose
bigg.metabolite:gdpddman biggM:gdpddman PNHLMHWWFOPQLK-BKUUWRAGSA-L	GDP-4-dehydro-6-deoxy-D-mannose
kegg.compound:C01222 keggC:C01222 PNHLMHWWFOPQLK-BKUUWRAGSA-N	GDP-4-dehydro-6-deoxy-D-mannose GDP-4-dehydro-6-deoxy-D-talose GDP-4-dehydro-6-deoxy-alpha-D-mannose GDP-4-dehydro-D-rhamnose GDP-4-dehydro-alpha-D-rhamnose GDP-4-keto-6-deoxy-D-mannose GDP-4-oxo-6-deoxy-D-mannose
vmhM:gdpddman vmhmetabolite:gdpddman PNHLMHWWFOPQLK-BKUUWRAGSA-L	GDP-4-dehydro-6-deoxy-alpha-D-mannose(2-) [({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy})pho
reactome:R-ALL-6787618 reactomeM:R-ALL-6787618 CHEBI:16955 chebi:16955 PNHLMHWWFOPQLK-BKUUWRAGSA-N	GDP-4-dehydro-6-deoxy-alpha-D-mannose GDP-4-dehydro-6-deoxy-D-mannose GDP-4-dehydro-6-deoxy-D-talose GDP-4-dehydro-D-rhamnose GDP-4-keto-6-deoxy-D-mannose GDP-4-oxo-6-deoxy-D-mannose Gdp-4-keto-6-deoxymannose Guanosine 5'-(trihydrogen diphosphate), P'-(6-deoxy-alpha-D-lyxo-hexopyranos-4-ulos-1-yl) ester Guanosine diphosphate-4-keto-6-deoxy-D-mannose guanosine 5'-[3-(6-deoxy-alpha-D-lyxo-hexopyranosyl-4-ulose) dihydrogen diphosphate]
seed.compound:cpd00900 seedM:cpd00900 PNHLMHWWFOPQLK-BKUUWRAGSA-L	GDP-4-dehydro-D-rhamnose GDP-4-dehydro-6-deoxy-D-mannose GDP-4-dehydro-6-deoxy-D-talose GDP-4-dehydro-6-deoxy-alpha-D-mannose GDP-4-dehydro-6-deoxy-alpha-D-talose GDP-4-dehydro-6-deoxymannose GDP-4-dehydro-alpha-D-rhamnose GDP-4-keto-6-deoxy-D-mannose GDP-4-keto-6-deoxy-alpha-D-mannose GDP-4-keto-6-deoxymannose GDP-4-oxo-6-deoxy-D-mannose GDP-4-oxo-6-deoxy-alpha-D-mannose GDP-4-oxo-6-deoxymannose gdpddman
sabiork.compound:1566 sabiorkM:1566 PNHLMHWWFOPQLK-BKUUWRAGSA-N	GDP-4-dehydro-D-rhamnose GDP-4-dehydro-6-deoxy-D-mannose GDP-4-dehydro-6-deoxy-D-talose GDP-4-keto-6-deoxy-D-mannose GDP-4-oxo-6-deoxy-D-mannose
metacyc.compound:GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE metacycM:GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE PNHLMHWWFOPQLK-BKUUWRAGSA-L	GDP-4-dehydro-alpha-D-rhamnose GDP-4-dehydro-6-deoxy-alpha-D-mannose GDP-4-dehydro-6-deoxy-alpha-D-talose GDP-4-dehydro-6-deoxymannose GDP-4-keto-6-deoxy-alpha-D-mannose GDP-4-keto-6-deoxymannose GDP-4-oxo-6-deoxy-alpha-D-mannose GDP-6-deoxy-D-lyxo-4-hexulose guanosine 5'-[3-(6-deoxy-alpha-D-lyxo-hexopyranosyl-4-ulose) diphosphate]
hmdb:HMDB01346 chebi:13329 chebi:21153 chebi:5214 biggM:M_gdpddman keggC:M_C01222 seedM:M_cpd00900 vmhM:M_gdpddman	secondary/obsolete/fantasy identifier