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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14N5O6PS2
Molecular Weight 395.352
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLYBDENUM COFACTOR PRECURSOR

SMILES

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

InChI

InChIKey=HPEUEJRPDGMIMY-IFQPEPLCSA-N
InChI=1S/C10H14N5O6PS2/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)/t2-,3+,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H14N5O6PS2
Molecular Weight 395.352
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ATN6EG42UQ
Record Status Validated (UNII)
Record Version