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

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(4aS,6R)-4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin

	Properties	Image
MNX_ID	MNXM31340
reference	chebi:15642
formula	C₉H₁₅N₅O₄
global charge	0
mol weight	257.25
InChIKey	KJKIEFUPAPPGBC-XXKOCQOQSA-N
InChI	InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1
SMILES	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1

MNX internals

InChI (mnx)	InChI=1/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1
SMILES (mnx)	[CH3:1][C@@H:3]([C@@H:5]([C@H:4]1[CH2:2][N:11]=[C:6]2[C@:9]([OH:18])([C:7]([OH:17])=[N:13][C:8](=[NH:10])[NH:12]2)[NH:14]1)[OH:16])[OH:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	14

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15642 chebi:15642 KJKIEFUPAPPGBC-XXKOCQOQSA-N	(4aS,6R)-4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin (6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-4a-hydroxy-5,6,7,8-tetrahydropteridin-4(4aH)-one (6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin
sabiork.compound:21101 sabiorkM:21101 KJKIEFUPAPPGBC-UHFFFAOYSA-N	4a-Hydroxytetrahydrobiopterin
hmdb:HMDB0002281 KJKIEFUPAPPGBC-XXKOCQOQSA-N	4a-Hydroxytetrahydrobiopterin (4AS,6R)-4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin (4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4,4a,5,6,7,8-hexahydropteridin-4-one (4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-5,6,7,8-tetrahydropteridin-4-one (6R)-6-(L-Erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 4a-HTHB 4a-Hydroxy-5,6,4,8-tetrahydrobiopterin 4a-Hydroxy-5,6,7,8-tetrahydrobiopterin 4a-Hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin 6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tetrahydro-4a-hydroxypterin
seed.compound:cpd03897 seedM:cpd03897 KJKIEFUPAPPGBC-XXKOCQOQSA-N	4a-Hydroxytetrahydrobiopterin (6R)-6-(L-erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a- hydroxypterin (6R)-6-(L-erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 4a-Hydroxy-5,6,4,8-tetrahydrobiopterin 4hthb
kegg.compound:C15522 keggC:C15522 KJKIEFUPAPPGBC-XXKOCQOQSA-N	4a-Hydroxytetrahydrobiopterin (6R)-6-(L-erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 4a-Hydroxy-5,6,4,8-tetrahydrobiopterin 6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tetrahydro-4a-hydroxypterin
metacyc.compound:CPD-5881 metacycM:CPD-5881 KJKIEFUPAPPGBC-XXKOCQOQSA-N	4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin (6R)-4a-hydroxy-tetrahydrobiopterin (6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 4a-hydroxy-5,6,7,8-tetrahydrobiopterin 4a-hydroxy-tetrahydropterin
vmhM:thbpt4acam vmhmetabolite:thbpt4acam KJKIEFUPAPPGBC-XXKOCQOQSA-N	4a-hydroxytetrahydrobiopterin (4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4,4a,5,6,7,8-hexahydropteridin-4-one
reactome:R-ALL-71112 reactomeM:R-ALL-71112 CHEBI:15374 chebi:15374 KJKIEFUPAPPGBC-UHFFFAOYSA-N	4a-hydroxytetrahydrobiopterin 2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-5,6,7,8-tetrahydropteridin-4(4aH)-one 4a-Hydroxy-5,6,4,8-tetrahydrobiopterin
seed.compound:cpd24598 seedM:cpd24598 KJKIEFUPAPPGBC-XXKOCQOQSA-N	4alpha-hydroxy-5,6,7,8-tetrahydrobiopterin (6R)-4a-hydroxy-tetrahydrobiopterin (6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 4a-hydroxy-5,6,7,8-tetrahydrobiopterin 4a-hydroxy-tetrahydropterin 4alpha-hydroxy-tetrahydrobiopterin 4alpha-hydroxy-tetrahydropterin 6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4alpha-hydroxypterin
hmdb:HMDB0304198 KJKIEFUPAPPGBC-UHFFFAOYSA-N	4alpha-hydroxy-tetrahydrobiopterin (6R)-6-(L-erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin 2-amino-6-(1,2-Dihydroxypropyl)-4a-hydroxy-5,6,7,8-tetrahydropteridin-4(4ah)-one 2-amino-6-(1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxy-4(4ah)-pteridinone 2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-4,4a,5,6,7,8-hexahydropteridin-4-one 2-amino-6-[(1R,2S)-1,2-Dihydroxypropyl]-4a-hydroxy-1,5,6,7-tetrahydropteridin-4-one 4a-HTHB 4a-Hydroxy-5,6,4,8-tetrahydrobiopterin 4a-Hydroxy-5,6,7,8-tetrahydrobiopterin 4a-hydroxytetrahydrobiopterin 4alpha-Hydroxytetrahydrobiopterin
bigg.metabolite:thbpt4acam biggM:thbpt4acam KJKIEFUPAPPGBC-UHFFFAOYSA-N	Tetrahydrobiopterin-4a-carbinolamine
metacyc.compound:4a-Hydroxytetrahydrobiopterins metacycM:4a-Hydroxytetrahydrobiopterins KJKIEFUPAPPGBC-ATDKUNPGSA-N	a 4a-hydroxytetrahydrobiopterin
hmdb:HMDB0012482 hmdb:HMDB02281 hmdb:HMDB12482 chebi:10740 chebi:10926 chebi:12053 chebi:136571 chebi:18604 chebi:254 biggM:M_thbpt4acam keggC:M_C15522 seedM:M_cpd03897 seedM:M_cpd24598 vmhM:M_thbpt4acam	secondary/obsolete/fantasy identifier