Molecule

H2-D-erythro-Neopterin 3'-phosphate

AlkaPlorer ID: AK033358

Synonym: None

IUPAC Name: [(2R,3S)-3-(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)-2,3-dihydroxypropyl] dihydrogen phosphate

Structure

SMILES: NC1=NC2=C(N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2)C(=O)N1

InChI: InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1

InChIKey: PLSQMGZYOGSOCE-XINAWCOVSA-N

Reference

D-erythro-neopterin biosynthesis in the methanogenic archaea Methanococcus thermophila and Methanobacterium thermoautotrophicum deltaH

PubChem CID: 135398608

LOTUS: LTS0165515

{

NPAtlas: NPA020015

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Methanobacterium	Methanobacteriaceae	Methanobacteriales	Methanobacteria	Euryarchaeota	None	Archaea

Properties Information

Molecule Weight: 335.213

TPSA？: 203.38

MolLogP？: -2.3188000000000004

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT016719	N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2>>N=c1[nH]c2c(c(=O)[nH]1)N=C(CO)CN2	enzymemap_83212
AKRT016720	N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2>>O=CCOP(=O)(O)O	enzymemap_83212
AKRT016722	N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CN2>>N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2	enzymemap_80639
AKRT021097	Nc1nc(N[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2	RXN-15730
AKRT021188	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2>>Nc1nc2c(c(=O)[nH]1)N=C(CO)CN2	RXN-18378
AKRT021189	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2	DIHYDRONEOPTERIN-MONO-P-DEPHOS-RXN
AKRT021190	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2>>O=CCOP(=O)(O)O	RXN-18378
AKRT021197	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CN2>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2	H2NEOPTERINP3PYROPHOSPHOHYDRO-RXN
AKRT021202	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H]1COP(=O)(O)O1)CN2>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2	RXN-12356
AKRT021428	Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2	MNXR180469