Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 23:02:38 UTC

Update Date

2021-09-26 23:17:53 UTC

HMDB ID

HMDB0260005

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Zidebactam

Description

Zidebactam belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. Based on a literature review a significant number of articles have been published on Zidebactam. This compound has been identified in human blood as reported by (PMID: 31557052 ). Zidebactam is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Zidebactam is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv1652309122101022D          

 26 28  0  0  0  0            999 V2000
   -3.6917   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9772   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9772   -1.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6917   -1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4061   -1.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4061   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627   -1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627   -2.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -1.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8338   -1.9511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1193   -1.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1193   -0.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952   -1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5335   -2.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1383   -3.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9541   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311   -2.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768   -1.4864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263   -1.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666   -2.4975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1893   -2.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -1.8775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1187   -1.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3356   -2.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9723   -1.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END

HMDB0260005
     RDKit          3D
Zidebactam
 47 49  0  0  0  0  0  0  0  0999 V2000
   -2.4033    0.6236   -0.9377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6506   -0.2788   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657   -1.0192    0.5728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011   -0.7682    0.3519 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008   -1.6761   -0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731   -2.7342   -0.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880   -1.6846   -0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117   -0.9693   -2.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5460   -0.4165   -2.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    0.6692   -1.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6262    0.5853   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -0.8678   -0.0612 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331   -0.9237    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -1.7375    1.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8601    0.1821   -0.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    0.5785    0.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651    1.9091    1.0451 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.7105    1.4620    2.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0166    2.7188    1.1762 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4933    2.8895    0.4083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031   -0.6236    0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2825   -0.2588    1.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6400    0.2843    1.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0129    1.3127    0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2326    0.5597   -0.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9516    0.0899   -0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9591   -1.7628    1.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0717    0.1220    0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426   -2.7460   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051   -1.7245   -2.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -0.1990   -2.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -0.1578   -3.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594   -1.3462   -1.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.6630   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7435    0.9182   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707    1.0414    0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0548    2.3387   -0.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1474   -1.7281    0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1353   -1.1845    2.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280    0.4955    1.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6145    0.8019    2.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4350   -0.4938    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9625    1.8384    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2199    2.0491    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9208   -0.2065   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4112    0.9981   -1.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1414   -0.6232   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  2  0
 17 20  1  0
  2 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 12  7  1  0
 26 21  1  0
 15 10  1  0
  3 27  1  0
  4 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 11 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  0
 22 40  1  0
 23 41  1  0
 23 42  1  0
 24 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
 26 47  1  0
M  END

  Mrv1652309122101022D          

 26 28  0  0  0  0            999 V2000
   -3.6917   -0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9772   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9772   -1.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6917   -1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4061   -1.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4061   -0.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627   -1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2627   -2.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -1.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8338   -1.9511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1193   -1.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1193   -0.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952   -1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5335   -2.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1383   -3.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9541   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311   -2.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768   -1.4864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0652   -1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6263   -1.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666   -2.4975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1893   -2.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -1.8775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1187   -1.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3356   -2.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9723   -1.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0260005

> <DATABASE_NAME>
hmdb

> <SMILES>
OS(=O)(=O)ON1C2CN(C(CC2)C(=O)NNC(=O)C2CCCNC2)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)

> <INCHI_KEY>
YCZPXRQPDCXTIO-UHFFFAOYSA-N

> <FORMULA>
C13H21N5O7S

> <MOLECULAR_WEIGHT>
391.4

> <EXACT_MASS>
391.11616921

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
36.27032889963002

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7-oxo-2-{[(piperidin-3-yl)formohydrazido]carbonyl}-1,6-diazabicyclo[3.2.1]octan-6-yl)oxidanesulfonic acid

> <ALOGPS_LOGP>
-2.05

> <JCHEM_LOGP>
-3.310585027910072

> <ALOGPS_LOGS>
-2.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.10088588704398

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.971985239336262

> <JCHEM_PKA_STRONGEST_BASIC>
9.161086948539714

> <JCHEM_POLAR_SURFACE_AREA>
157.37999999999997

> <JCHEM_REFRACTIVITY>
85.62689999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{7-oxo-2-[(piperidin-3-ylformohydrazido)carbonyl]-1,6-diazabicyclo[3.2.1]octan-6-yl}oxidanesulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0260005
     RDKit          3D
Zidebactam
 47 49  0  0  0  0  0  0  0  0999 V2000
   -2.4033    0.6236   -0.9377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6506   -0.2788   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657   -1.0192    0.5728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011   -0.7682    0.3519 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008   -1.6761   -0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731   -2.7342   -0.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880   -1.6846   -0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117   -0.9693   -2.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5460   -0.4165   -2.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    0.6692   -1.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6262    0.5853   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -0.8678   -0.0612 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331   -0.9237    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -1.7375    1.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8601    0.1821   -0.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    0.5785    0.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651    1.9091    1.0451 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.7105    1.4620    2.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0166    2.7188    1.1762 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4933    2.8895    0.4083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031   -0.6236    0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2825   -0.2588    1.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6400    0.2843    1.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0129    1.3127    0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2326    0.5597   -0.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9516    0.0899   -0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9591   -1.7628    1.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0717    0.1220    0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426   -2.7460   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051   -1.7245   -2.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -0.1990   -2.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -0.1578   -3.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594   -1.3462   -1.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.6630   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7435    0.9182   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707    1.0414    0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0548    2.3387   -0.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1474   -1.7281    0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1353   -1.1845    2.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280    0.4955    1.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6145    0.8019    2.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4350   -0.4938    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9625    1.8384    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2199    2.0491    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9208   -0.2065   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4112    0.9981   -1.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1414   -0.6232   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  2  0
 17 20  1  0
  2 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 12  7  1  0
 26 21  1  0
 15 10  1  0
  3 27  1  0
  4 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 11 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  0
 22 40  1  0
 23 41  1  0
 23 42  1  0
 24 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
 26 47  1  0
M  END

HEADER    PROTEIN                                 12-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-21         0                                  
HETATM    1  C   UNK     0      -6.891  -0.562   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.557  -1.332   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.557  -2.872   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.891  -3.642   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -8.225  -2.872   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -8.225  -1.332   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.224  -3.642   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.224  -5.182   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -2.890  -2.872   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      -1.556  -3.642   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -0.223  -2.872   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.223  -1.332   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.111  -3.642   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.996  -5.178   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.125  -6.225   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.648  -5.996   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.418  -4.227   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       2.383  -2.775   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       3.855  -3.228   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.902  -2.100   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       4.418  -4.662   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0       5.953  -4.777   0.000  0.00  0.00           O+0
HETATM   23  S   UNK     0       6.821  -3.505   0.000  0.00  0.00           S+0
HETATM   24  O   UNK     0       7.688  -2.232   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.093  -4.372   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       5.548  -2.637   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    3    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   16   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

COMPND    HMDB0260005
HETATM    1  O1  UNL     1      -2.403   0.624  -0.938  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.651  -0.279  -0.108  1.00  0.00           C  
HETATM    3  N1  UNL     1      -1.666  -1.019   0.573  1.00  0.00           N  
HETATM    4  N2  UNL     1      -0.301  -0.768   0.352  1.00  0.00           N  
HETATM    5  C2  UNL     1       0.501  -1.676  -0.345  1.00  0.00           C  
HETATM    6  O2  UNL     1      -0.173  -2.734  -0.751  1.00  0.00           O  
HETATM    7  C3  UNL     1       1.888  -1.685  -0.703  1.00  0.00           C  
HETATM    8  C4  UNL     1       2.112  -0.969  -2.139  1.00  0.00           C  
HETATM    9  C5  UNL     1       3.546  -0.417  -2.111  1.00  0.00           C  
HETATM   10  C6  UNL     1       3.844   0.669  -1.136  1.00  0.00           C  
HETATM   11  C7  UNL     1       2.626   0.585  -0.122  1.00  0.00           C  
HETATM   12  N3  UNL     1       2.830  -0.868  -0.061  1.00  0.00           N  
HETATM   13  C8  UNL     1       4.133  -0.924   0.485  1.00  0.00           C  
HETATM   14  O3  UNL     1       4.557  -1.737   1.331  1.00  0.00           O  
HETATM   15  N4  UNL     1       4.860   0.182  -0.173  1.00  0.00           N  
HETATM   16  O4  UNL     1       6.112   0.578   0.072  1.00  0.00           O  
HETATM   17  S1  UNL     1       6.265   1.909   1.045  1.00  0.00           S  
HETATM   18  O5  UNL     1       6.711   1.462   2.406  1.00  0.00           O  
HETATM   19  O6  UNL     1       5.017   2.719   1.176  1.00  0.00           O  
HETATM   20  O7  UNL     1       7.493   2.890   0.408  1.00  0.00           O  
HETATM   21  C9  UNL     1      -4.103  -0.624   0.212  1.00  0.00           C  
HETATM   22  C10 UNL     1      -4.282  -0.259   1.654  1.00  0.00           C  
HETATM   23  C11 UNL     1      -5.640   0.284   1.999  1.00  0.00           C  
HETATM   24  C12 UNL     1      -6.013   1.313   0.941  1.00  0.00           C  
HETATM   25  N5  UNL     1      -6.233   0.560  -0.266  1.00  0.00           N  
HETATM   26  C13 UNL     1      -4.952   0.090  -0.771  1.00  0.00           C  
HETATM   27  H1  UNL     1      -1.959  -1.763   1.228  1.00  0.00           H  
HETATM   28  H2  UNL     1       0.072   0.122   0.727  1.00  0.00           H  
HETATM   29  H3  UNL     1       2.243  -2.746  -0.861  1.00  0.00           H  
HETATM   30  H4  UNL     1       2.105  -1.725  -2.909  1.00  0.00           H  
HETATM   31  H5  UNL     1       1.380  -0.199  -2.257  1.00  0.00           H  
HETATM   32  H6  UNL     1       3.768  -0.158  -3.149  1.00  0.00           H  
HETATM   33  H7  UNL     1       4.159  -1.346  -1.882  1.00  0.00           H  
HETATM   34  H8  UNL     1       4.001   1.663  -1.482  1.00  0.00           H  
HETATM   35  H9  UNL     1       1.743   0.918  -0.630  1.00  0.00           H  
HETATM   36  H10 UNL     1       2.871   1.041   0.811  1.00  0.00           H  
HETATM   37  H11 UNL     1       8.055   2.339  -0.193  1.00  0.00           H  
HETATM   38  H12 UNL     1      -4.147  -1.728   0.051  1.00  0.00           H  
HETATM   39  H13 UNL     1      -4.135  -1.185   2.250  1.00  0.00           H  
HETATM   40  H14 UNL     1      -3.528   0.495   1.974  1.00  0.00           H  
HETATM   41  H15 UNL     1      -5.615   0.802   2.966  1.00  0.00           H  
HETATM   42  H16 UNL     1      -6.435  -0.494   1.955  1.00  0.00           H  
HETATM   43  H17 UNL     1      -6.962   1.838   1.198  1.00  0.00           H  
HETATM   44  H18 UNL     1      -5.220   2.049   0.854  1.00  0.00           H  
HETATM   45  H19 UNL     1      -6.921  -0.206  -0.091  1.00  0.00           H  
HETATM   46  H20 UNL     1      -4.411   0.998  -1.127  1.00  0.00           H  
HETATM   47  H21 UNL     1      -5.141  -0.623  -1.621  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   21
CONECT    3    4   27
CONECT    4    5   28
CONECT    5    6    6    7
CONECT    7    8   12   29
CONECT    8    9   30   31
CONECT    9   10   32   33
CONECT   10   11   15   34
CONECT   11   12   35   36
CONECT   12   13
CONECT   13   14   14   15
CONECT   15   16
CONECT   16   17
CONECT   17   18   18   19   19
CONECT   17   20
CONECT   20   37
CONECT   21   22   26   38
CONECT   22   23   39   40
CONECT   23   24   41   42
CONECT   24   25   43   44
CONECT   25   26   45
CONECT   26   46   47
END

HMDB0260005
     RDKit          3D
Zidebactam
 47 49  0  0  0  0  0  0  0  0999 V2000
   -2.4033    0.6236   -0.9377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6506   -0.2788   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6657   -1.0192    0.5728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011   -0.7682    0.3519 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008   -1.6761   -0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731   -2.7342   -0.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880   -1.6846   -0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117   -0.9693   -2.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5460   -0.4165   -2.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    0.6692   -1.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6262    0.5853   -0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -0.8678   -0.0612 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331   -0.9237    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -1.7375    1.3305 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8601    0.1821   -0.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    0.5785    0.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651    1.9091    1.0451 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.7105    1.4620    2.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0166    2.7188    1.1762 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4933    2.8895    0.4083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031   -0.6236    0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2825   -0.2588    1.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6400    0.2843    1.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0129    1.3127    0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2326    0.5597   -0.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9516    0.0899   -0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9591   -1.7628    1.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0717    0.1220    0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426   -2.7460   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051   -1.7245   -2.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799   -0.1990   -2.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -0.1578   -3.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594   -1.3462   -1.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.6630   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7435    0.9182   -0.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8707    1.0414    0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0548    2.3387   -0.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1474   -1.7281    0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1353   -1.1845    2.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5280    0.4955    1.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6145    0.8019    2.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4350   -0.4938    1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9625    1.8384    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2199    2.0491    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9208   -0.2065   -0.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4112    0.9981   -1.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1414   -0.6232   -1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  2  0
 17 20  1  0
  2 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 12  7  1  0
 26 21  1  0
 15 10  1  0
  3 27  1  0
  4 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 11 35  1  0
 11 36  1  0
 20 37  1  0
 21 38  1  0
 22 39  1  0
 22 40  1  0
 23 41  1  0
 23 42  1  0
 24 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
 26 47  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-{hydroxy[7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-2-yl]methylidene}piperidine-3-carbohydrazonate	HMDB
N-{hydroxy[7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3.2.1]octan-2-yl]methylidene}piperidine-3-carbohydrazonate	HMDB
N-{hydroxy[7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3.2.1]octan-2-yl]methylidene}piperidine-3-carbohydrazonic acid	HMDB

Chemical Formula

C₁₃H₂₁N₅O₇S

Average Molecular Weight

391.4

Monoisotopic Molecular Weight

391.11616921

IUPAC Name

(7-oxo-2-{[(piperidin-3-yl)formohydrazido]carbonyl}-1,6-diazabicyclo[3.2.1]octan-6-yl)oxidanesulfonic acid

Traditional Name

{7-oxo-2-[(piperidin-3-ylformohydrazido)carbonyl]-1,6-diazabicyclo[3.2.1]octan-6-yl}oxidanesulfonic acid

CAS Registry Number

Not Available

SMILES

OS(=O)(=O)ON1C2CN(C(CC2)C(=O)NNC(=O)C2CCCNC2)C1=O

InChI Identifier

InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)

InChI Key

YCZPXRQPDCXTIO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acid amides

Alternative Parents

Substituents

Alpha-amino acid amide
Beta amino acid or derivatives
Piperidinecarboxamide
3-piperidinecarboxamide
2-piperidinecarboxamide
Diazepane
1,3-diazepane
Diacylhydrazine
Piperidine
Imidazolidinone
Organic sulfuric acid or derivatives
Imidazolidine
Carbonic acid derivative
Carboxylic acid hydrazide
Azacycle
Organoheterocyclic compound
Secondary amine
Secondary aliphatic amine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (HMDB: HMDB0260005)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2	ALOGPS
logP	-3.3	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	-2	ChemAxon
pKa (Strongest Basic)	9.16	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	157.38 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	85.63 m³·mol⁻¹	ChemAxon
Polarizability	36.27 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	185.727	32859911
AllCCS	[M+H-H2O]+	183.144	32859911
AllCCS	[M+Na]+	188.786	32859911
AllCCS	[M+NH4]+	188.105	32859911
AllCCS	[M-H]-	183.608	32859911
AllCCS	[M+Na-2H]-	183.303	32859911
AllCCS	[M+HCOO]-	183.111	32859911
DeepCCS	[M+H]+	171.383	30932474
DeepCCS	[M-H]-	169.025	30932474
DeepCCS	[M-2H]-	202.846	30932474
DeepCCS	[M+Na]+	178.073	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Zidebactam	OS(=O)(=O)ON1C2CN(C(CC2)C(=O)NNC(=O)C2CCCNC2)C1=O	4505.7	Standard polar	33892256
Zidebactam	OS(=O)(=O)ON1C2CN(C(CC2)C(=O)NNC(=O)C2CCCNC2)C1=O	3483.7	Standard non polar	33892256
Zidebactam	OS(=O)(=O)ON1C2CN(C(CC2)C(=O)NNC(=O)C2CCCNC2)C1=O	3656.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Zidebactam,1TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCNC1	3526.3	Semi standard non polar	33892256
Zidebactam,1TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCNC1	3359.4	Standard non polar	33892256
Zidebactam,1TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCNC1	5669.3	Standard polar	33892256
Zidebactam,1TMS,isomer #2	C[Si](C)(C)N(NC(=O)C1CCCNC1)C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O	3378.4	Semi standard non polar	33892256
Zidebactam,1TMS,isomer #2	C[Si](C)(C)N(NC(=O)C1CCCNC1)C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O	3169.6	Standard non polar	33892256
Zidebactam,1TMS,isomer #2	C[Si](C)(C)N(NC(=O)C1CCCNC1)C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O	5760.2	Standard polar	33892256
Zidebactam,1TMS,isomer #3	C[Si](C)(C)N(NC(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)C(=O)C1CCCNC1	3407.4	Semi standard non polar	33892256
Zidebactam,1TMS,isomer #3	C[Si](C)(C)N(NC(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)C(=O)C1CCCNC1	3159.9	Standard non polar	33892256
Zidebactam,1TMS,isomer #3	C[Si](C)(C)N(NC(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)C(=O)C1CCCNC1	5862.6	Standard polar	33892256
Zidebactam,1TMS,isomer #4	C[Si](C)(C)N1CCCC(C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)C1	3529.6	Semi standard non polar	33892256
Zidebactam,1TMS,isomer #4	C[Si](C)(C)N1CCCC(C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)C1	3304.9	Standard non polar	33892256
Zidebactam,1TMS,isomer #4	C[Si](C)(C)N1CCCC(C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)C1	5813.4	Standard polar	33892256
Zidebactam,2TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCNC1)[Si](C)(C)C	3351.6	Semi standard non polar	33892256
Zidebactam,2TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCNC1)[Si](C)(C)C	3474.9	Standard non polar	33892256
Zidebactam,2TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCNC1)[Si](C)(C)C	5195.7	Standard polar	33892256
Zidebactam,2TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCNC1)[Si](C)(C)C	3376.5	Semi standard non polar	33892256
Zidebactam,2TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCNC1)[Si](C)(C)C	3479.4	Standard non polar	33892256
Zidebactam,2TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCNC1)[Si](C)(C)C	5304.0	Standard polar	33892256
Zidebactam,2TMS,isomer #3	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCN([Si](C)(C)C)C1	3527.9	Semi standard non polar	33892256
Zidebactam,2TMS,isomer #3	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCN([Si](C)(C)C)C1	3586.1	Standard non polar	33892256
Zidebactam,2TMS,isomer #3	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCN([Si](C)(C)C)C1	5368.5	Standard polar	33892256
Zidebactam,2TMS,isomer #4	C[Si](C)(C)N(C(=O)C1CCCNC1)N(C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)[Si](C)(C)C	3220.8	Semi standard non polar	33892256
Zidebactam,2TMS,isomer #4	C[Si](C)(C)N(C(=O)C1CCCNC1)N(C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)[Si](C)(C)C	3221.9	Standard non polar	33892256
Zidebactam,2TMS,isomer #4	C[Si](C)(C)N(C(=O)C1CCCNC1)N(C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)[Si](C)(C)C	5348.1	Standard polar	33892256
Zidebactam,2TMS,isomer #5	C[Si](C)(C)N1CCCC(C(=O)NN(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)C1	3385.0	Semi standard non polar	33892256
Zidebactam,2TMS,isomer #5	C[Si](C)(C)N1CCCC(C(=O)NN(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)C1	3368.8	Standard non polar	33892256
Zidebactam,2TMS,isomer #5	C[Si](C)(C)N1CCCC(C(=O)NN(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)C1	5389.9	Standard polar	33892256
Zidebactam,2TMS,isomer #6	C[Si](C)(C)N1CCCC(C(=O)N(NC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)C1	3389.2	Semi standard non polar	33892256
Zidebactam,2TMS,isomer #6	C[Si](C)(C)N1CCCC(C(=O)N(NC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)C1	3386.2	Standard non polar	33892256
Zidebactam,2TMS,isomer #6	C[Si](C)(C)N1CCCC(C(=O)N(NC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)C1	5504.5	Standard polar	33892256
Zidebactam,3TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCNC1)[Si](C)(C)C)[Si](C)(C)C	3239.9	Semi standard non polar	33892256
Zidebactam,3TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCNC1)[Si](C)(C)C)[Si](C)(C)C	3600.2	Standard non polar	33892256
Zidebactam,3TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCNC1)[Si](C)(C)C)[Si](C)(C)C	4789.9	Standard polar	33892256
Zidebactam,3TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C	3382.7	Semi standard non polar	33892256
Zidebactam,3TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C	3723.6	Standard non polar	33892256
Zidebactam,3TMS,isomer #2	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C	4938.2	Standard polar	33892256
Zidebactam,3TMS,isomer #3	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C	3373.2	Semi standard non polar	33892256
Zidebactam,3TMS,isomer #3	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C	3732.4	Standard non polar	33892256
Zidebactam,3TMS,isomer #3	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C	5054.2	Standard polar	33892256
Zidebactam,3TMS,isomer #4	C[Si](C)(C)N1CCCC(C(=O)N(N(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)[Si](C)(C)C)C1	3268.9	Semi standard non polar	33892256
Zidebactam,3TMS,isomer #4	C[Si](C)(C)N1CCCC(C(=O)N(N(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)[Si](C)(C)C)C1	3444.9	Standard non polar	33892256
Zidebactam,3TMS,isomer #4	C[Si](C)(C)N1CCCC(C(=O)N(N(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C)[Si](C)(C)C)C1	4986.9	Standard polar	33892256
Zidebactam,4TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C)[Si](C)(C)C	3282.2	Semi standard non polar	33892256
Zidebactam,4TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C)[Si](C)(C)C	3853.4	Standard non polar	33892256
Zidebactam,4TMS,isomer #1	C[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCN([Si](C)(C)C)C1)[Si](C)(C)C)[Si](C)(C)C	4579.0	Standard polar	33892256
Zidebactam,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCNC1	3758.5	Semi standard non polar	33892256
Zidebactam,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCNC1	3641.0	Standard non polar	33892256
Zidebactam,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCNC1	5690.3	Standard polar	33892256
Zidebactam,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(NC(=O)C1CCCNC1)C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O	3614.0	Semi standard non polar	33892256
Zidebactam,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(NC(=O)C1CCCNC1)C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O	3422.6	Standard non polar	33892256
Zidebactam,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(NC(=O)C1CCCNC1)C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O	5678.5	Standard polar	33892256
Zidebactam,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(NC(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)C(=O)C1CCCNC1	3629.4	Semi standard non polar	33892256
Zidebactam,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(NC(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)C(=O)C1CCCNC1	3418.2	Standard non polar	33892256
Zidebactam,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(NC(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)C(=O)C1CCCNC1	5775.7	Standard polar	33892256
Zidebactam,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)C1	3776.8	Semi standard non polar	33892256
Zidebactam,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)C1	3558.3	Standard non polar	33892256
Zidebactam,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)NNC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)C1	5954.0	Standard polar	33892256
Zidebactam,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C	3805.3	Semi standard non polar	33892256
Zidebactam,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C	4026.0	Standard non polar	33892256
Zidebactam,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C	5123.7	Standard polar	33892256
Zidebactam,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C	3817.8	Semi standard non polar	33892256
Zidebactam,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C	4030.6	Standard non polar	33892256
Zidebactam,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C	5222.4	Standard polar	33892256
Zidebactam,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1	3983.8	Semi standard non polar	33892256
Zidebactam,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1	4113.5	Standard non polar	33892256
Zidebactam,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NNC(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1	5418.0	Standard polar	33892256
Zidebactam,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCNC1)N(C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)[Si](C)(C)C(C)(C)C	3733.4	Semi standard non polar	33892256
Zidebactam,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCNC1)N(C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)[Si](C)(C)C(C)(C)C	3699.7	Standard non polar	33892256
Zidebactam,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)C1CCCNC1)N(C(=O)C1CCC2CN1C(=O)N2OS(=O)(=O)O)[Si](C)(C)C(C)(C)C	5148.9	Standard polar	33892256
Zidebactam,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)NN(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)C1	3886.9	Semi standard non polar	33892256
Zidebactam,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)NN(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)C1	3842.6	Standard non polar	33892256
Zidebactam,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)NN(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)C1	5378.1	Standard polar	33892256
Zidebactam,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)N(NC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)C1	3890.5	Semi standard non polar	33892256
Zidebactam,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)N(NC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)C1	3857.6	Standard non polar	33892256
Zidebactam,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)N(NC(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)C1	5489.6	Standard polar	33892256
Zidebactam,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3931.7	Semi standard non polar	33892256
Zidebactam,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4392.0	Standard non polar	33892256
Zidebactam,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCNC1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4705.4	Standard polar	33892256
Zidebactam,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C	4081.4	Semi standard non polar	33892256
Zidebactam,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C	4494.4	Standard non polar	33892256
Zidebactam,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(NC(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C	4938.4	Standard polar	33892256
Zidebactam,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C	4081.6	Semi standard non polar	33892256
Zidebactam,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C	4505.4	Standard non polar	33892256
Zidebactam,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)NN(C(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C	5039.0	Standard polar	33892256
Zidebactam,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)N(N(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	4037.3	Semi standard non polar	33892256
Zidebactam,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)N(N(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	4116.7	Standard non polar	33892256
Zidebactam,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CCCC(C(=O)N(N(C(=O)C2CCC3CN2C(=O)N3OS(=O)(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1	4940.7	Standard polar	33892256
Zidebactam,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4215.8	Semi standard non polar	33892256
Zidebactam,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4846.5	Standard non polar	33892256
Zidebactam,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OS(=O)(=O)ON1C(=O)N2CC1CCC2C(=O)N(N(C(=O)C1CCCN([Si](C)(C)C(C)(C)C)C1)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4621.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Zidebactam GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-9420000000-f1f6d70a6c5ffee410f3	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zidebactam GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

78049761

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Zidebactam (HMDB0260005)

MOL for HMDB0260005 (Zidebactam)

3D MOL for HMDB0260005 (Zidebactam)

3D SDF for HMDB0260005 (Zidebactam)

3D-SDF for HMDB0260005 (Zidebactam)

PDB for HMDB0260005 (Zidebactam)

3D PDB for HMDB0260005 (Zidebactam)

SMILES for HMDB0260005 (Zidebactam)

INCHI for HMDB0260005 (Zidebactam)

Structure for HMDB0260005 (Zidebactam)

3D Structure for HMDB0260005 (Zidebactam)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra