Basic information
- CAS
19046-78-7- Standard SMILES
O=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C(=O)O- InChIKey
OFBHPPMPBOJXRT-VWJPMABRSA-N- Molecular formula
- C14H18N5O11P
- Average molar mass
- 463.29 g/mol
- Monoisotopic mass
- 463.07404303
Overview
adenylosuccinic acid has been reported in Penicillium chrysogenum with data available.
Names & identifiers
- Preferred name
- Adenylosuccinic acid
- IUPAC
- (2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid
- English name
- ADENYLOSUCCINIC ACID
- Molecular formula
- C14H18N5O11P
- Molecular weight
- 463.29
Names & synonyms
Adenylosuccinic acidAspartyl adenylate19046-78-7Succinyl AMPX1B4ZJ0IIV(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acidL-Aspartic acid, N-(9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)-(2S)-2-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl)purin-6-yl)amino)butanedioic acid(2S)-2-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl)purin-6-yl)amino)butanedioic acid(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]butanedioic acidRefChem:5530332-((9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl)purin-6-yl)amino)butanedioic acid
Show more names
Adenylsuccinic acidC03794Aspartyl-AMPadenylosuccnic acidADENYLOSUCCINIC ACID HYDRATEadenylosuccinic acid free acidL-Aspartic acid 4-(5'-adenylyl) esterN-[9-(5-O-Phosphono-β-D-ribofuranosyl)-9H-purin-6-yl]-L-aspartic acid
N6-(1,2-dicarboxyethyl)-AMP2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACIDSuccinyladenosine monophosphoric acidN(6)-(1,2-dicarboxyethyl)AMP2SAadenyl-Succinic acid6-Succino-5'-adenylateUNII-X1B4ZJ0IIV
Database identifiers
- CAS
19046-78-7- PubChem CID
- 447145
- DTXSID
DTXSID80864869- UNII
- X1B4ZJ0IIV
- Nikkaji
- J37.503I
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 247 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 725
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 921.9 · 921.9±75.0 °C(Predicted)
- Density
- 2.19 · 2.19±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 20 mg/mlDMSO: · DMF: 20 mg/mlDMSO: 20 mg/mlEthanol: Partially solublePBS (pH 7.2): 10 mg/ml
- pka
- 1.86 · 1.86±0.10(Predicted)
- form
- powder
- color
- White to off-white
- InChIKey
- OFBHPPMPBOJXRT-VWJPMABRSA-N
- SMILES
- O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n2cnc3c(N[C@@H](CC(O)=O)C(O)=O)ncnc23
- FDA UNII
- 1 B4ZJ0IIV · X1B4ZJ0IIV
- UNSPSC Code
- 12352204 · 12352204
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysAdenine phosphoribosyltransferase deficiency (APRT)
Applications
UsesAdenylosuccinic acid (Adenylosuccinate; Aspartyl adenylate) is a purine ribonucleoside monophosphate and plays a role in nucleotide cycle metabolite. Adenylosuccinic acid can be converted into fumaric acid through adenylosuccinate lyase. Adenylosuccinic acid has the potential for the study of duchenne muscular dystrophy(DMD)[1].
Suppliers21 total
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海裕英生物医药科技有限公司021-50158063 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Additional notes
DefinitionChEBI: The N6-(1,2-dicarboxyethyl) derivative of adenosine 5'-monophosphate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…