Basic information
- Standard SMILES
O=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC1=O)c1cccc(O)c1O- InChIKey
SERBHKJMVBATSJ-BZSNNMDCSA-N- Molecular formula
- C30H27N3O15
- Average molar mass
- 669.5 g/mol
- Monoisotopic mass
- 669.14421716
Overview
Enterobactin is a macrotriolide produced by certain members of Enterobacteriaceae, e.g. Escherichia coli and Salmonella. It has a role as a siderophore and a bacterial metabolite. It is a macrotriolide, a polyphenol, a member of catechols and a crown compound. It is a conjugate acid of an enterobactin(6-) and an enterobactin(1-).
Names & identifiers
- Preferred name
- Enterobactin
- IUPAC
- N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamide
- English name
- RENNIN
- Molecular weight
- 0
Names & synonyms
enterobactin28384-96-5Enterochelin35C9R2N24FCHEBI:28855tri-(2,3-dihydroxy-N-benzoyl-L-serine)-esterDTXSID40182617tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-esterBenzamide, N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxy-, (3S-(3R*,7R*,11R*)))-N-[(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,3-dihydroxybenzamideN-((3S,7S,11S)-7,11-bis((2,3-dihydroxybenzoyl)amino)-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl)-2,3-dihydroxybenzamideRefChem:388954
Show more names
labCHYMOSINCHYMASEWBS15RENNINec3443AnirenWBSCR5rennaseMaxiren
DTXCID80105108N-((3S,7S,11S)-7,11-bis(2,3-dihydroxybenzamido)-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl)-2,3-dihydroxybenzamideN-(7,11-bis((2,3-dihydroxybenzoyl)amino)-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl)-2,3-dihydroxybenzamideEnterochellinMFCD16876395Enterobactin from Escherichia coliN,N',N''-((3S,7S,11S)-2,6,10-Trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide)N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)
Database identifiers
- CAS
28384-96-5、9001-98-3- PubChem CID
- 34231
- DTXSID
DTXSID40182617- ChEMBL
CHEMBL432995- ChEBI
CHEBI:28855- UNII
- 35C9R2N24F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 288 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,060
Experimental & physicochemical properties
Food AdditivesENZYME, PROCESSING AID, STABILIZER OR THICKENER -> FDA Substance added to food
Physicochemical properties
- Melting point
- 225 · 225-227℃
- storage temp.
- -20 °C · -20°C
- form
- Solid
- color
- White to off-white
- Merck
- 14 · 14,8134
- Specific Activity
- 20 units/mg · ≥20units/mg protein
- FDA UNII
- 1 OX0ZX2 · UGA1OX0ZX2
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 54 · NA.54
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H334-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- B,Xn
- Risk Statements
- 36 · 36/37/38-42
- Safety Statements
- 22 · 22-24-26-36/37
- WGK Germany
- 1 · 1
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Resp · Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
- Hazardous Substances Data
- 9001 · 9001-98-3(Hazardous Substances Data)
Safety & regulation
Safety data
- wgk
- 1
- risk_code
- 36/37/38-42
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- B,Xn
- safety_code
- 22-24-26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H334-H335
- Hazard Classifications
- Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
- Hazardous Substances Data
- 9001-98-3(Hazardous Substances Data)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationLow-molecular-weight compounds produced by microorganisms that aid in the transport and sequestration of ferric iron. (The Encyclopedia of Molecular Biology, 1994)
Cellular LocationsCytoplasm
Applications
UsesRennet (a dried extract contg rennin) is used in the manufacture of cheese and rennet casein, also sold retail for the making of junket or rennet custards.
UsesRennin, also known as chymosin, is a milkclotting acid proteinase produced in the stomach of a calf. It is used in cheesemaking and to study neonatal gastric digestion .
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
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Additional notes
DefinitionA digestive enzyme secreted by the glands of the stomach and causes curdling of milk. It has the power of coagulating 25,000 times its own weight of milk.
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