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

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cyclic pyranopterin phosphate

	Properties	Image
MNX_ID	MNXM1107741
reference	metacycM:PRECURSOR-Z
formula	C₁₀H₁₁N₅O₇P
global charge	-1
mol weight	344.2
InChIKey	PWFXLXMPGSLEOZ-QQVWSJFJSA-M
InChI	InChI=1S/C10H12N5O7P/c11-10-14-7-4(8(17)15-10)12-3-5(16)6-2(21-9(3)13-7)1-20-23(18,19)22-6/h2-3,6,9,12H,1H2,(H,18,19)(H4,11,13,14,15,17)/p-1/t2?,3-,6?,9+/m0/s1
SMILES	NC1=NC2=C(N[C@H]3C(=O)C4OP(=O)([O-])OCC4O[C@H]3N2)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C10H12N5O7P/c11-10-14-7-4(8(17)15-10)12-3-5(16)6-2(21-9(3)13-7)1-20-23(18,19)22-6/h2-3,6,9,12H,1H2,(H,18,19)(H4,11,13,14,15,17)/t2?,3-,6?,9+/m0/s1
SMILES (mnx)	[CH2:1]1[CH:2]2[CH:6]([C:5](=[O:16])[C@H:3]3[C@H:9]([NH:13][C:7]4=[C:4]([C:8]([OH:17])=[N:15][C:10](=[NH:11])[NH:14]4)[NH:12]3)[O:21]2)[O:22][P:23]([OH:18])(=[O:19])[O:20]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:PRECURSOR-Z metacycM:PRECURSOR-Z PWFXLXMPGSLEOZ-QQVWSJFJSA-M	cyclic pyranopterin phosphate 8-amino-2,12,12-trihydroxy-4,4a,5a,6,9,10,11,11a,12,12a-decahydro-[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine 2-oxide 8-amino-2,12,12-trihydroxy-4a,5a,6,9,11,11a,12,12a-octahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridin-10(4H)-one 2-oxide cPMP cyclic pyranopterin monophosphate precursor Z precursor-Z
bigg.metabolite:cpmp biggM:cpmp	Cyclic pyranopterin monophosphate
reactome:R-ALL-947537 reactomeM:R-ALL-947537 CHEBI:59648 chebi:59648 PWFXLXMPGSLEOZ-UHFFFAOYSA-M	cyclic pyranopterin phosphate 8-amino-10,12-dioxo-4,4a,5a,6,9,10,11,11a,12,12a-decahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridin-2-olate 2-oxide cPMP cyclic pyranopterin monophosphate precursor Z precursor Z(1-)
CHEBI:52994 chebi:52994 PWFXLXMPGSLEOZ-UHFFFAOYSA-N	precursor Z 8-amino-2-hydroxy-4a,5a,9,11,11a,12a-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione 2-oxide cPMP cyclic pyranopterin monophosphate
biggM:M_cpmp	secondary/obsolete/fantasy identifier