Reaxys
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Bioactivities (726)
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SigmaAldrich
Reactions (468)
Structure
Substances (23)
Targets (74)
Citations (1647)
Structure/Compound Data Chemical Name: 1-carboxy-propyl Reaxys Registry Number: 1850441
CAS Registry Number: 3122-09-6 Type of Substance: acyclic Molecular Formula: C4H7O2
Linear Structure Formula: C4H7O2
Molecular Weight: 87.0984
InChI Key: WOPPAKOZWUGURL-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions
Available Data
4 prep out of 6 reactions.
15 prep out of 26 reactions.
Target
N° of ref.
Druglikeness
Identification Spectra (8)
Show Targets
11
Druglikeness
Bioactivity
Identification Physical Data (13) Spectra (10) Other Data (21)
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82
Synthesize | Show Details Find similar Chemical Name: butyrate Reaxys Registry Number: 3601060
CAS Registry Number: 461-55-2 Type of Substance: acyclic Molecular Formula: C4H7O2
Linear Structure Formula: C4H7O2(1-)
Molecular Weight: 87.0984
InChI Key: FERIUCNNQQJTOY-UHFFFAOYSA-M
2
Synthesize | Show Details Find similar
Chemical Name: <1-13C>butyric acid Reaxys Registry Number: 1701672
CAS Registry Number: 38765-83-2 Type of Substance: acyclic Molecular Formula: C4H8O2
Linear Structure Formula: C3(13)CH8O2
4 prep out of 9 reactions.
Druglikeness
Identification Physical Data (1) Spectra (2)
Show Targets
12
3 prep out of 3 reactions.
Druglikeness
Identification Physical Data (6) Spectra (5)
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12
6 prep out of 15 reactions.
Druglikeness
Identification Physical Data (3) Spectra (6)
Show Targets
20
3 prep out of 5 reactions.
Druglikeness
Bioactivity
Identification Physical Data (1)
Show Targets
11
4 prep
Druglikeness
Show
11
Molecular Weight: 89.0953
InChI Key: FERIUCNNQQJTOY-AZXPZELESA-N
3
Synthesize | Show Details Find similar Chemical Name: O-deuterio-butyric acid Reaxys Registry Number: 1701165
CAS Registry Number: 25117-78-6 Type of Substance: acyclic Molecular Formula: C4H8O2
Linear Structure Formula: C4H7DO2
Molecular Weight: 89.0984
InChI Key: FERIUCNNQQJTOY-DYCDLGHISA-N
4
Synthesize | Show Details Find similar Chemical Name: 2,2-d2-butanoic acid Reaxys Registry Number: 1904033
CAS Registry Number: 19136-92-6 Type of Substance: acyclic Molecular Formula: C4H8O2
Linear Structure Formula: C4H6D2O2
Molecular Weight: 90.0904
InChI Key: FERIUCNNQQJTOY-SMZGMGDZSA-N
5
Synthesize | Show Details Find similar Chemical Name: [14C]-Butyric acid Reaxys Registry Number: 1701675
CAS Registry Number: 41130-44-3 Type of Substance: acyclic Molecular Formula: C4H8O2
Linear Structure Formula: C3H7(14)COOH
Molecular Weight: 90.0953
InChI Key: FERIUCNNQQJTOY-DOMIDYPGSA-N
6
Synthesize | Show Details Find similar Chemical Name:
(4,4,4-2H3)-butyric acid Reaxys Registry Number: 1756015
CAS Registry Number: 36789-14-7 Type of Substance: acyclic Molecular Formula: C4H8O2
Linear Structure Formula: C4H5D3O2
Molecular Weight: 91.0825
InChI Key: FERIUCNNQQJTOY-FIBGUPNXSA-N
7
out of 7 reactions.
Identification Physical Data (5) Spectra (4)
Targets
2 prep out of 6 reactions.
Druglikeness
Bioactivity
Identification Physical Data (13) Spectra (1) Other Data (4)
Show Targets
12
2 prep out of 5 reactions.
Druglikeness
Identification Physical Data (6) Other Data (4)
Show Targets
15
6 prep out of 188 reactions.
Druglikeness
Bioactivity
Identification Physical Data (100) Spectra (23) Other Data (734)
Show Targets
1204
4 prep
Druglikeness
Show
71
Synthesize | Show Details Find similar Chemical Name: butyric acid Li-salt Reaxys Registry Number: 3701541
CAS Registry Number: 21303-03-7 Type of Substance: acyclic Molecular Formula: C4H7O2*Li Linear Structure Formula: Li(1+)*O2CC3H7(1-)=LiO2CC3H7 Molecular Weight: 94.0394
InChI Key: WIAVVDGWLCNNGT-UHFFFAOYSA-M
8
Synthesize | Show Details Find similar Chemical Name: Ammonium n-butyrate Reaxys Registry Number: 3914929
CAS Registry Number: 14287-04-8 Type of Substance: acyclic Molecular Formula: C4H8O2*H3N Linear Structure Formula: C4H8O2*H3N Molecular Weight: 105.137
InChI Key: YNTQKXBRXYIAHM-UHFFFAOYSA-N
9
Synthesize | Show Details Find similar Chemical Name: sodium butyrate Reaxys Registry Number: 3629439
CAS Registry Number: 156-54-7 Type of Substance: acyclic Molecular Formula: C4H7O2*Na Linear Structure Formula: Na(1+)*C3H7CO2(1)=Na(C H CO ) 3 7 2
10
Molecular Weight: 110.088
InChI Key: MFBOGIVSZKQAPD-UHFFFAOYSA-M Highest Clinical Phase: Phase II
Synthesize | Show Details Find similar Chemical Name:
potassium n-butyrate Reaxys Registry Number: 3914371
CAS Registry Number: 589-39-9 Type of Substance: acyclic Molecular Formula: C4H7O2*K Linear Structure Formula: K(1+)*CH3CH2CH2COO(1-
out of 36 reactions.
Bioactivity
Identification Physical Data (40) Spectra (1) Other Data (4)
Targets
2 prep out of 19 reactions.
Druglikeness
Identification Spectra (2)
Show Targets
12
2 prep out of 36 reactions.
Druglikeness
Identification Physical Data (27) Spectra (2) Other Data (1)
Show Targets
44
1 prep out of 2 reactions.
Druglikeness
Identification Physical Data (15)
Show Targets
10
0 prep
Druglikeness
Show
43
)=CH CH CH COOK 3 2 2
11
Molecular Weight: 126.197
InChI Key: RWMKSKOZLCXHOK-UHFFFAOYSA-M
Synthesize | Show Details Find similar Chemical Name: copper n-butyrate Reaxys Registry Number: 4006822
CAS Registry Number: 50671-60-8 Type of Substance: acyclicCoordination compound Molecular Formula: C4H7O2*Cu Linear Structure Formula: Cu(1+)*O2CCH2CH2CH3(1)=CuO CCH CH CH 2 2 2 3
12
Molecular Weight: 150.644
InChI Key: HMRDQEMTHMWRIK-UHFFFAOYSA-M
Synthesize | Show Details Find similar Chemical Name: silver butyrate Reaxys Registry Number: 3914637
CAS Registry Number: 5076-24-4 Type of Substance: acyclic Molecular Formula: Ag*C4H7O2
Linear Structure Formula: Ag(1+)*C4H7O2(1-) Molecular Weight: 194.967
InChI Key: JKOCEVIXVMBKJA-UHFFFAOYSA-M
13
Synthesize | Show Details Find similar Chemical Name: magnesium butyrate Reaxys Registry Number: 3914643
CAS Registry Number: 556-45-6 Type of Substance: acyclic Molecular Formula: 2C4H7O2*Mg Linear Structure Formula: 2C4H7O2(1-)*Mg(2+) Molecular Weight: 198.502
InChI Key: XZXFQZFALWOEBN-UHFFFAOYSA-M
14
Synthesize | Show Details Find similar Chemical Name:
calcium dibutyrate Reaxys Registry Number: 3701714
CAS Registry Number: 5743-36-2 Type of Substance: acyclic Molecular Formula: 2C4H7O2*Ca Linear Structure Formula: 2C4H7O2(1-)*Ca(2+)
out of 13 reactions.
Identification Physical Data (16) Other Data (11)
Targets
0 prep out of 3 reactions.
Druglikeness
Identification Physical Data (33)
Show Targets
12
2 prep out of 4 reactions.
Druglikeness
Identification Physical Data (1) Spectra (2)
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10
2 prep out of 11 reactions.
Druglikeness
Identification Physical Data (5) Spectra (1)
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17
10 prep
Druglikeness
Show
49
Molecular Weight: 214.275
InChI Key: POEGPIAGIYEZJB-UHFFFAOYSA-M
15
Synthesize | Show Details Find similar Chemical Name: butyric acid ; calcium butyrate Reaxys Registry Number: 3918930
CAS Registry Number: 5892-23-9, 99283-81-5 Type of Substance: acyclic Molecular Formula: 2C4H7O2*Ca*H2O Linear Structure Formula: 2C4H7O2(1-)*Ca(2+)*H2O Molecular Weight: 232.29
InChI Key: DWTDNVZSXNIULO-UHFFFAOYSA-M
16
Synthesize | Show Details Find similar Chemical Name: nickel(II) butyrate Reaxys Registry Number: 3701717
CAS Registry Number: 5434-68-4, 19624-55-6 Type of Substance: acyclic Molecular Formula: 2C4H7O2*Ni Linear Structure Formula: Ni(2+)*2CH3CH2CH2COO(1)=Ni(CH CH CH COO)2 3 2 2
17
Molecular Weight: 232.887
InChI Key: QGEGANFLBSUFNR-UHFFFAOYSA-M
Synthesize | Show Details Find similar Chemical Name: cobalt(II) butyrate Reaxys Registry Number: 3914642
CAS Registry Number: 19664-96-1, 25442-09-5, 99668-710 Type of Substance: acyclic Molecular Formula: 2C4H7O2*Co Linear Structure Formula: Co(2+)*2CH3CH2CH2COO(1-) = Co(CH3CH2CH2COO)2 Molecular Weight: 233.19
InChI Key: ZKMVYMBHIIITDW-UHFFFAOYSA-M
18
Synthesize | Show Details Find similar Chemical Name:
copper(II) butyrate Reaxys Registry Number: 3701715
CAS Registry Number: 540-16-9, 32047-80-6, 50671-60-8 Type of Substance: acyclicCoordination compound Molecular Formula: 2C4H7O2*Cu Linear Structure Formula: Cu(2+)*2CH3CH2CH2CO2(1-
out of 44 reactions.
Bioactivity
Identification Physical Data (12) Spectra (12)
Targets
6 prep out of 12 reactions.
Druglikeness
Bioactivity
Identification Physical Data (24) Spectra (9) Other Data (134)
Show Targets
33
5 prep out of 7 reactions.
Druglikeness
Bioactivity
Identification Physical Data (20) Spectra (7) Other Data (1)
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17
0 prep out of 2 reactions.
Druglikeness
Identification Physical Data (30) Spectra (1)
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15
3 prep
Druglikeness
Show
16
)=Cu(CH CH CH CO )2 3 2 2 2
19
Molecular Weight: 237.743
InChI Key: GXWXBQVBOKVFKU-UHFFFAOYSA-M
Synthesize | Show Details Find similar Chemical Name: zinc(II) butyrate Reaxys Registry Number: 3701722
CAS Registry Number: 13282-37-6 Type of Substance: acyclicCoordination compound Molecular Formula: 2C4H7O2*Zn Linear Structure Formula: Zn(2+)*2O2CC3H7(1)=Zn(O CC H )2 2 3 7
20
Molecular Weight: 239.587
InChI Key: WECLHXWGEMUJSK-UHFFFAOYSA-M
Synthesize | Show Details Find similar Chemical Name: copper(II) n-butyrate monohydrate Reaxys Registry Number: 3918931
CAS Registry Number: 6046-99-7 Type of Substance: acyclic Molecular Formula: 2C4H7O2*Cu*H2O Linear Structure Formula: Cu(2+)*2CH3CH2CH2COO(1)*H
21
O=Cu(C4H7O2)2*H2O
2
Molecular Weight: 255.758
InChI Key: VYEDFQJONMTEMN-UHFFFAOYSA-M
Synthesize | Show Details Find similar Chemical Name: barium n-butanoate Reaxys Registry Number: 3914638
CAS Registry Number: 31416-33-8 Type of Substance: acyclic Molecular Formula: Ba*2C4H7O2
Linear Structure Formula: Ba(2+)*2CH3CH2CH2COO(1)=Ba(C H O )2 4 7 2
22
Molecular Weight: 311.527
InChI Key: ZAQCEMASMWPINY-UHFFFAOYSA-M
Synthesize | Show Details Find similar Chemical Name:
mercuric n-butyrate Reaxys Registry Number: 4156830
CAS Registry Number: 17442-53-4, 19348-32-4, 20525-364 Type of Substance: acyclic Molecular Formula: C8H14HgO4
Linear Structure Formula: Hg(O2CC3H7)2 Molecular Weight: 374.787
InChI Key: DZIHOYNRDGOJSD-UHFFFAOYSA-M
23
Synthesize | Show Details Find similar
out of 14 reactions.
Identification Physical Data (2) Spectra (2)
Targets