Results for:
Species: Bifidobacterium dentium NFBC2243

Signature

4-aminobutanoic Acid

Mass-Spectra

Compound Details

Synonymous names	Gammaaminobutyricacid gamma-Aminobuttersaeure Piperidinate Gamma aminobutyrate gamma-aminobutyrate Immuglobin omega-Aminobutyrate Aminalon Aminalone Aminobutanoic acid Aminobutyric acid BTCSSZJGUNDROE-UHFFFAOYSA-N Gaballon Gamastan Gammagee Gammalon Gammalone Gammasol Mielogen Mielomade 3-Carboxypropylamine GABA|?-Aminobutyric acid Gamarex gamma-Aminobutanoic acid Gammar Gamulin Piperidinic acid Reanal w-Aminobutyrate 4-Aminobutyricacid GABA gamma Aminobutyric acid gamma-Aminobutryic acid gamma-aminobutyric acid omega-Aminobutyric acid Piperidic acid 4-aminobutanoate 4-Aminobutylate 4-aminobutyrate a-Aminobutyric acid Butanoicacid,amino- g-Aminobutyric acid w-Aminobutyric acid CHEMBL96 GAMMA-AMINO-BUTANOIC ACID gamma-Aminobutyric acid, analytical standard 4-Aminobutanoic acid 4-aminobutyric acid gamma-Amino butyric acid gamma-Aminobuttersaeure [German] Immu-G 2ACZ6IPC6I 4-AMINO-BUTYRATE AC1L18IR AC1Q54DP Globulin, immune human serum .gamma.-Aminobutanoic acid ACMC-1CAQ1 gamma-amino-n-butyric acid H-GABA-OH SCHEMBL4878 UNII-2ACZ6IPC6I .gamma.-Aminobutyric acid .omega.-Aminobutyric acid 4-amino butyric acid 4-amino-butanoic acid 4-Amino-butyric acid BUTANOIC ACID,4-AMINO GAMMA(AMINO)-BUTYRIC ACID GTPL1067 GTPL5410 KSC269S7N 3-AMINO-1-CARBOXYPROPYL ARONIS27190 Gammalon (TN) WLN: Z3VQ [3H]GABA A0282 BDBM24183 CTK1G9976 DL-gamma-AMINO-n-BUTYRIC ACID gamma-Aminobutyric acid (JAN) Gamma-aminobutyric acid [JAN] gamma-Aminobutyric acid, >=99% HMDB00112 HMS501O18 SGCUT00121 Acide amino-4- butyrique cid_119 DB02530 DF 468 LP00005 NSC27418 NSC32044 NSC45460 NSC51295 RP18806 STR01523 Tocris-0344 .gamma.-Amino-butyric acid 4-amino-n-butyric acid 4-NH2-but 4-NH3-but Aminobutyric acid,-4- bmse000340 bmse000820 bmse000871 Butanoicacid, 4-amino- C00334 CCRIS 3721 D00058 HMS1921C06 HMS2232P09 HMS3260A11 SPECTRUM1500678 AM021786 AM027432 BBL008590 BC204189 Chemical Name: .gamma.-Aminobutanoic acid DNC004037 DPR000001 DTXSID6035106 GSK683699 KS-5273 LP058134 NSC757426 OR033663 SBB028179 STK301748 TL806167 Vigabatrin impurity D, European Pharmacopoeia (EP) Reference Standard A 2129 CHEBI:16865 gamma-Aminobutyric acid, certified reference material, TraceCERT(R) gamma-Aminobutyric acid, United States Pharmacopeia (USP) Reference Standard L000262 M-7233 Spectrum_000049 ZINC1532620 .gamma.-Amino-N-butyric acid AB1003088 AJ-26795 AK-43987 AN-24434 ANW-13573 BP-21452 BR-43987 BSPBio_002970 CCG-38515 DSSTox_GSID_35106 gamma-Aminobutyric acid, BioXtra, >=99% KB-62456 KBioGR_001297 KBioSS_000429 Lopac-A-2129 LS-47805 NSC 27418 NSC-27418 NSC-32044 NSC-45460 NSC-51295 Opera_ID_1152 SC-10045 ST2411110 TL8006100 TRA0094659 BB_SC-1122 butanoic acid, 4-amino- Butyric acid, 4-amino- DSSTox_CID_15106 DSSTox_RID_79238 LMFA01100039 MFCD00008226 NINDS_000616 SPBio_000996 Spectrum2_001208 Spectrum3_001385 Spectrum4_000809 Spectrum5_001425 AI3-26812 AM20100372 NSC-757426 RTR-019733 ST45061580 to_000021 TR-019733 AKOS000119660 Biomol-NT_000230 DivK1c_000616 EPA Pesticide Chemical Code 030802 I04-0182 I04-1117 KBio1_000616 KBio2_000429 KBio2_002997 KBio2_005565 KBio3_002190 Lopac0_000005 Oprea1_584567 PDSP1_001275 PDSP2_001259 EU-0100005 FT-0617569 IDI1_000616 MLS000028505 SMR000058285 20-79-1 56-12-2 Acide amino-4- butyrique [French] Z955123658 Tox21_110071 Tox21_500005 F2191-0196 CAS-56-12-2 3131-86-0 MCULE-7613134021 NCGC00015043-01 NCGC00015043-02 NCGC00015043-03 NCGC00015043-04 NCGC00015043-05 NCGC00015043-06 NCGC00015043-07 NCGC00015043-08 NCGC00015043-09 NCGC00015043-10 NCGC00024546-01 NCGC00024546-02 NCGC00024546-03 NCGC00024546-04 NCGC00024546-05 NCGC00024546-06 NCGC00260690-01 AB00052155_12 EINECS 200-258-6 BUTANOIC ACID,4-AMINO 4-AMINO,BUTYRIC ACID Pharmakon1600-01500678 SR-01000075618 SBI-0049994.P003 4-Aminobutyric acid, 97% 100g Butanoic acid, 4-amino- (9CI) MolPort-000-146-216 5959-35-3 (hydrochloride) 13511-EP2269989A1 13511-EP2272537A2 13511-EP2275401A1 13511-EP2292222A1 13511-EP2298766A1 13511-EP2298776A1 13511-EP2308875A1 13511-EP2314571A2 13511-EP2316836A1 33777-EP2286811A1 33777-EP2295055A2 33777-EP2311453A1 178648-EP2269992A1 178648-EP2270002A1 178648-EP2275102A1 178648-EP2277865A1 4-amino-n-[2,3-3H]butyric acid SR-01000075618-1 6610-05-5 (mono-hydrochloride salt) Butyric acid, 4-amino- (7CI,8CI) 70582-09-1 (calcium salt (2:1)) C5C3DC27-C105-4D18-8A52-F51978B32D24 InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7
IUPAC name	4-aminobutanoic acid
SMILES	C(CC(=O)O)CN
Inchi	InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
Formula	C4H9NO2
PubChem ID	119
Molweight	103.121
LogP	-2.89
Atoms	16
Bonds	15
H-bond Acceptor	3
H-bond Donor	2
Chemical Classification	carboxylic acids amines nitrogen compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 2885 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Positive MS-MS Spectrum 2874 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Positive MS-MS Spectrum 162 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 2878 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Positive MS-MS Spectrum 2889 - LC-ESI-QQ (API3000, Applied Biosystems) 50V Positive MS-MS Spectrum 2876 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Positive MS-MS Spectrum 2875 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Positive MS-MS Spectrum 2888 - LC-ESI-QQ (API3000, Applied Biosystems) 40V Positive MS-MS Spectrum 2880 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Positive MS-MS Spectrum 2897 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive MS-MS Spectrum 2883 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Negative MS-MS Spectrum 20691 MS-MS Spectrum 2884 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Negative MS-MS Spectrum 2877 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Positive MS-MS Spectrum 164 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 20674 MS-MS Spectrum 2882 - LC-ESI-QQ (API3000, Applied Biosystems) 10V Negative MS-MS Spectrum 2886 - LC-ESI-QQ (API3000, Applied Biosystems) 20V Positive MS-MS Spectrum 163 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad MS-MS Spectrum 20672 MS-MS Spectrum 2887 - LC-ESI-QQ (API3000, Applied Biosystems) 30V Positive MS-MS Spectrum 20690 MS-MS Spectrum 2881 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Positive MS-MS Spectrum 20673 MS-MS Spectrum 2879 - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) Positive

1D-NMR-Links

1D NMR Spectrum 1150 - Bruker 400 MHz 13C NMR 1D NMR Spectrum 4849 1D NMR Spectrum 2464 - JEOL 90 MHz 1H NMR 1D NMR Spectrum 1088 - Varian 600 MHz 1H NMR 1D NMR Spectrum 3156 - Varian 25.16 MHz 13C NMR

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Bifidobacterium Adolescentis DPC6044 n/a Barrett et al., 2012 Bacteria Bifidobacterium Dentium DPC 6333 n/a Barrett et al., 2012 Bacteria Bifidobacterium Dentium DPC6333 None Human intestine Barrett et al., 2012 Bacteria Bifidobacterium Dentium NFBC 2243 n/a Barrett et al., 2012 Bacteria Bifidobacterium Dentium NFBC2243 None Human intestine Barrett et al., 2012 Bacteria Bifidobacterium Infantis UCC 35624 n/a Barrett et al., 2012 Bacteria Bifidobacterium Infantis UCC35624 None Human intestine Barrett et al., 2012 Bacteria Lactobacillus Brevis DPC6108 n/a Barrett et al., 2012

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Bifidobacterium Adolescentis DPC6044 Monosodium glutamate (MSG) pH-controlled anaerobic faeces-based fermentation, supplemented with 30 mg/ ml MSG Bacteria Bifidobacterium Dentium DPC 6333 Monosodium glutamate (MSG) pH-controlled anaerobic faeces-based fermentation, supplemented with 30 mg/ ml MSG Bacteria Bifidobacterium Dentium DPC6333 Monosodium glutamate (MSG) pH-controlled anaerobic faeces-based fermentation, supplemented with 30 mg/ ml MSG Yes Bacteria Bifidobacterium Dentium NFBC 2243 Monosodium glutamate (MSG) pH-controlled anaerobic faeces-based fermentation, supplemented with 30 mg/ ml MSG Bacteria Bifidobacterium Dentium NFBC2243 Monosodium glutamate (MSG) pH-controlled anaerobic faeces-based fermentation, supplemented with 30 mg/ ml MSG Yes Bacteria Bifidobacterium Infantis UCC 35624 Monosodium glutamate (MSG) pH-controlled anaerobic faeces-based fermentation, supplemented with 30 mg/ ml MSG Bacteria Bifidobacterium Infantis UCC35624 Monosodium glutamate (MSG) pH-controlled anaerobic faeces-based fermentation, supplemented with 30 mg/ ml MSG Yes Bacteria Lactobacillus Brevis DPC6108 Monosodium glutamate (MSG) pH-controlled anaerobic faeces-based fermentation, supplemented with 30 mg/ ml MSG