U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12MoN5O8PS2
Molecular Weight 521.27
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLYBDOPTERIN

SMILES

[H][C@]12NC3=C(N[C@@]1([H])C4=C(S[Mo](=O)(=O)S4)[C@@H](COP(O)(O)=O)O2)C(=O)N=C(N)N3

InChI

InChIKey=HDAJUGGARUFROU-JSUDGWJLSA-L
InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;/p-2/t2-,3+,9-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula C10H12MoN5O8PS2
Molecular Weight 521.27
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:46:37 GMT 2023
Edited
by admin
on Sat Dec 16 11:46:37 GMT 2023
Record UNII
EPP8L4V5E3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLYBDOPTERIN
Common Name English
Molybdenum cofactor
Common Name English
Molybdate(2-), [mono[[(5aR,8R,9aR)-2-amino-3,5,8,10-tetrahydro-6,7-bis(mercapto-κS)-4-oxo-4H-pyrano[3,2-g]pteridin-8-yl]methyl] phosphato(4-)]dioxo-, hydrogen (1:2), (T-4)-
Common Name English
Code System Code Type Description
FDA UNII
EPP8L4V5E3
Created by admin on Sat Dec 16 11:46:37 GMT 2023 , Edited by admin on Sat Dec 16 11:46:37 GMT 2023
PRIMARY
CAS
872689-63-9
Created by admin on Sat Dec 16 11:46:37 GMT 2023 , Edited by admin on Sat Dec 16 11:46:37 GMT 2023
PRIMARY
CHEBI
44074
Created by admin on Sat Dec 16 11:46:37 GMT 2023 , Edited by admin on Sat Dec 16 11:46:37 GMT 2023
PRIMARY
WIKIPEDIA
Molybdopterin
Created by admin on Sat Dec 16 11:46:37 GMT 2023 , Edited by admin on Sat Dec 16 11:46:37 GMT 2023
PRIMARY
PUBCHEM
135398581
Created by admin on Sat Dec 16 11:46:37 GMT 2023 , Edited by admin on Sat Dec 16 11:46:37 GMT 2023
PRIMARY
CHEBI
58698
Created by admin on Sat Dec 16 11:46:37 GMT 2023 , Edited by admin on Sat Dec 16 11:46:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
PARENT -> METABOLITE ACTIVE