Molecule

H2-erythro-Neopterin

AlkaPlorer ID: AK017863

Synonym: None

IUPAC Name: 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one

Structure

SMILES: N=C1N=C(O)C2=C(NCC([C@H](O)[C@H](O)CO)=N2)N1

InChI: InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1

InChIKey: YQIFAMYNGGOTFB-XINAWCOVSA-N

Reference

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

PubChem CID: 135398602

CAS: 1218-98-0

LOTUS: LTS0025942

{

NPAtlas: NPA000530

Source

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

Properties Information

Molecule Weight: 255.234

TPSA？: 157.84

MolLogP？: -2.1931300000000005

Number of H-Donors: 7

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT016710	N=c1[nH]c2c(c(=O)[nH]1)N=C(CO)CN2.O=CCO>>N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2	enzymemap_82625
AKRT016715	N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@@H](O)CO)CN2>>N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2	enzymemap_87355
AKRT016716	N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>N=c1[nH]c2c(c(=O)[nH]1)N=C(CO)CN2	enzymemap_82623
AKRT016717	N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@@H](O)CO)CN2	enzymemap_87355
AKRT016718	N=c1[nH]c2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>O=CCO	enzymemap_82623
AKRT017479	NC1=NC(=O)C2NC(=O)CNC2=N1.O=CCO.O=CO>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2	RXN-16480
AKRT021170	Nc1nc2c(c(=O)[nH]1)N=C(CO)CN2.O=CCO>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2	enzymemap_82625
AKRT021177	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@@H](CO)OP(=O)(O)O)CN2>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2	RXN-12358
AKRT021179	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@@H](O)CO)CN2>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2	R11073
AKRT021181	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>NC1=NC(=O)C2NC(=O)CNC2=N1	RXN-16480
AKRT021182	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>Nc1nc2c(c(=O)[nH]1)N=C(CO)CN2	H2NEOPTERINALDOL-RXN
AKRT021183	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@@H](O)CO)CN2	R11073
AKRT021184	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>Nc1nc2c(c(=O)[nH]1)NC(=O)CN2	R11037
AKRT021185	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>Nc1nc2ncc([C@H](O)[C@H](O)CO)nc2c(=O)[nH]1	R04622
AKRT021186	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>O=CCO	H2NEOPTERINALDOL-RXN
AKRT021187	Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO)CN2>>O=CO	R11037
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
AKRT021196	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)CO)CN2	R04620