The Biofilms Structural Database

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STREPTOMYCIN

4EJW

Code

SRY

Name

STREPTOMYCIN

Molecular Weight

581.57

Isomeric SMILES

CN[[email protected]]1[[email protected]](O)[[email protected]@H](O)[[email protected]](CO)O[[email protected]]1O[[email protected]]1[[email protected]](O[[email protected]]2[[email protected]](O)[[email protected]@H](O)[[email protected]](NC(N)=N)[[email protected]@H](O)[[email protected]@H]2NC(N)=N)O[[email protected]@H](C)[[email protected]]1(O)C=O

Formula

C21H39N7O12

Identifiers

1-[(1R,2R,3S,4R,5R,6S)-3-carbamimidamido-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl]oxy-4-hydroxy-4-methanoyl-5-methyl-oxolan-2-yl]oxy-2,5,6-trihydroxy-cyclohexyl]guanidine

Formal Charge

0

InChI

InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1

Atom Count

79

InChIKey

UCSJYZPVAKXKNQ-HZYVHMACSA-N

PDB codes

4EJW

Type

NON-POLYMER

Chiral Atom Count

15

Chiral Atoms

C11, C12, C13, C21, C22, C23, C31, C32, C33, C41, C42, C43, C51, C53, C61

Bond Count

81

Aromatic Bond Count

0

Leaving Atoms

n/a