U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H23N3O5S
Molecular Weight 345.415
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Threonine, biotinylated

SMILES

C[C@@H](OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[C@H](N)C(O)=O

InChI

InChIKey=JMKFWWMPUPHPSB-VCHBTMOCSA-N
InChI=1S/C14H23N3O5S/c1-7(11(15)13(19)20)22-10(18)5-3-2-4-9-12-8(6-23-9)16-14(21)17-12/h7-9,11-12H,2-6,15H2,1H3,(H,19,20)(H2,16,17,21)/t7-,8+,9+,11+,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H23N3O5S
Molecular Weight 345.415
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
4YFP3MUC9A
Record Status Validated (UNII)
Record Version